2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea

C185H174N56O18 — CID 163811885

IUPAC2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea
SMILESCC(C)c1c(-c2cccnc2)noc1NC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.CC(C)c1cc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)ccc1NC(=O)Nc1cc(-c2cccnc2)no1.Cn1nc(-c2cccnc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)n[nH]1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)no1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2cccnc2)[nH]n1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2ccncc2)no1
InChIInChI=1S/2C28H28N8O3.C27H26N8O2.C26H24N8O2.C26H23N7O3.C25H23N9O2.C25H22N8O3/c1-17(2)23-24(19-4-3-9-29-15-19)35-39-27(23)34-28(37)32-20-7-5-18(6-8-20)22-14-21-25(33-22)30-16-31-26(21)36-10-12-38-13-11-36;1-17(2)20-12-18(23-13-21-26(32-23)30-16-31-27(21)36-8-10-38-11-9-36)5-6-22(20)33-28(37)34-25-14-24(35-39-25)19-4-3-7-29-15-19;1-34-21(13-24(33-34)19-3-2-8-28-16-19)14-25(36)31-20-6-4-18(5-7-20)23-15-22-26(32-23)29-17-30-27(22)35-9-11-37-12-10-35;35-24(13-20-12-23(33-32-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)34-8-10-36-11-9-34;34-24(13-20-12-23(32-36-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)33-8-10-35-11-9-33;35-25(31-22-13-21(32-33-22)17-2-1-7-26-14-17)29-18-5-3-16(4-6-18)20-12-19-23(30-20)27-15-28-24(19)34-8-10-36-11-9-34;34-25(31-22-14-21(32-36-22)17-5-7-26-8-6-17)29-18-3-1-16(2-4-18)20-13-19-23(30-20)27-15-28-24(19)33-9-11-35-12-10-33/h3-9,14-17H,10-13H2,1-2H3,(H,30,31,33)(H2,32,34,37);3-7,12-17H,8-11H2,1-2H3,(H,30,31,32)(H2,33,34,37);2-8,13,15-17H,9-12,14H2,1H3,(H,31,36)(H,29,30,32);1-7,12,14-16H,8-11,13H2,(H,30,35)(H,32,33)(H,28,29,31);1-7,12,14-16H,8-11,13H2,(H,30,34)(H,28,29,31);1-7,12-15H,8-11H2,(H,27,28,30)(H3,29,31,32,33,35);1-8,13-15H,9-12H2,(H,27,28,30)(H2,29,31,34)
InChIKeyNNZFUCDTVSPHFB-UHFFFAOYSA-N
MW3469.80 g/mol
LogP29.16
Rot. Bonds40

About 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea

2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea (PubChem CID 163811885) has the molecular formula C185H174N56O18 and a molecular weight of 3469.80 g/mol. Its IUPAC name is 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea
PubChem CID163811885
Molecular FormulaC185H174N56O18
Molecular Weight3469.80 g/mol
Exact Mass3467.44
IUPAC Name2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea
SMILESCC(C)c1c(-c2cccnc2)noc1NC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.CC(C)c1cc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)ccc1NC(=O)Nc1cc(-c2cccnc2)no1.Cn1nc(-c2cccnc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)n[nH]1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)no1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2cccnc2)[nH]n1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2ccncc2)no1
InChIInChI=1S/2C28H28N8O3.C27H26N8O2.C26H24N8O2.C26H23N7O3.C25H23N9O2.C25H22N8O3/c1-17(2)23-24(19-4-3-9-29-15-19)35-39-27(23)34-28(37)32-20-7-5-18(6-8-20)22-14-21-25(33-22)30-16-31-26(21)36-10-12-38-13-11-36;1-17(2)20-12-18(23-13-21-26(32-23)30-16-31-27(21)36-8-10-38-11-9-36)5-6-22(20)33-28(37)34-25-14-24(35-39-25)19-4-3-7-29-15-19;1-34-21(13-24(33-34)19-3-2-8-28-16-19)14-25(36)31-20-6-4-18(5-7-20)23-15-22-26(32-23)29-17-30-27(22)35-9-11-37-12-10-35;35-24(13-20-12-23(33-32-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)34-8-10-36-11-9-34;34-24(13-20-12-23(32-36-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)33-8-10-35-11-9-33;35-25(31-22-13-21(32-33-22)17-2-1-7-26-14-17)29-18-5-3-16(4-6-18)20-12-19-23(30-20)27-15-28-24(19)34-8-10-36-11-9-34;34-25(31-22-14-21(32-36-22)17-5-7-26-8-6-17)29-18-3-1-16(2-4-18)20-13-19-23(30-20)27-15-28-24(19)33-9-11-35-12-10-33/h3-9,14-17H,10-13H2,1-2H3,(H,30,31,33)(H2,32,34,37);3-7,12-17H,8-11H2,1-2H3,(H,30,31,32)(H2,33,34,37);2-8,13,15-17H,9-12,14H2,1H3,(H,31,36)(H,29,30,32);1-7,12,14-16H,8-11,13H2,(H,30,35)(H,32,33)(H,28,29,31);1-7,12,14-16H,8-11,13H2,(H,30,34)(H,28,29,31);1-7,12-15H,8-11H2,(H,27,28,30)(H3,29,31,32,33,35);1-8,13-15H,9-12H2,(H,27,28,30)(H2,29,31,34)
InChIKeyNNZFUCDTVSPHFB-UHFFFAOYSA-N
XLogP29.16
TPSA899.63 Ų
H-Bond Donors20
H-Bond Acceptors54
Rotatable Bonds40
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003469.80
LogP ≤ 529.16
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1054

Analyze 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea?
The IUPAC name of 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea (CID 163811885) is 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea is CC(C)c1c(-c2cccnc2)noc1NC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.CC(C)c1cc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)ccc1NC(=O)Nc1cc(-c2cccnc2)no1.Cn1nc(-c2cccnc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)n[nH]1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1cc(-c2cccnc2)no1)Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2cccnc2)[nH]n1.O=C(Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Nc1cc(-c2ccncc2)no1.
What is the InChIKey of 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea?
The InChIKey is NNZFUCDTVSPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N8O3.C27H26N8O2.C26H24N8O2.C26H23N7O3.C25H23N9O2.C25H22N8O3/c1-17(2)23-24(19-4-3-9-29-15-19)35-39-27(23)34-28(37)32-20-7-5-18(6-8-20)22-14-21-25(33-22)30-16-31-26(21)36-10-12-38-13-11-36;1-17(2)20-12-18(23-13-21-26(32-23)30-16-31-27(21)36-8-10-38-11-9-36)5-6-22(20)33-28(37)34-25-14-24(35-39-25)19-4-3-7-29-15-19;1-34-21(13-24(33-34)19-3-2-8-28-16-19)14-25(36)31-20-6-4-18(5-7-20)23-15-22-26(32-23)29-17-30-27(22)35-9-11-37-12-10-35;35-24(13-20-12-23(33-32-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)34-8-10-36-11-9-34;34-24(13-20-12-23(32-36-20)18-2-1-7-27-15-18)30-19-5-3-17(4-6-19)22-14-21-25(31-22)28-16-29-26(21)33-8-10-35-11-9-33;35-25(31-22-13-21(32-33-22)17-2-1-7-26-14-17)29-18-5-3-16(4-6-18)20-12-19-23(30-20)27-15-28-24(19)34-8-10-36-11-9-34;34-25(31-22-14-21(32-36-22)17-5-7-26-8-6-17)29-18-3-1-16(2-4-18)20-13-19-23(30-20)27-15-28-24(19)33-9-11-35-12-10-33/h3-9,14-17H,10-13H2,1-2H3,(H,30,31,33)(H2,32,34,37);3-7,12-17H,8-11H2,1-2H3,(H,30,31,32)(H2,33,34,37);2-8,13,15-17H,9-12,14H2,1H3,(H,31,36)(H,29,30,32);1-7,12,14-16H,8-11,13H2,(H,30,35)(H,32,33)(H,28,29,31);1-7,12,14-16H,8-11,13H2,(H,30,34)(H,28,29,31);1-7,12-15H,8-11H2,(H,27,28,30)(H3,29,31,32,33,35);1-8,13-15H,9-12H2,(H,27,28,30)(H2,29,31,34).
What are the key properties of 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea?
2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea has a molecular weight of 3469.80 g/mol, XLogP of 29.16, 40 rotatable bonds, 20 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 163811885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).