(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C135H164F2N36O9S — CID 167536316

IUPAC(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1ccc(S(=O)(=O)C(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(C)C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCOC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C29H38N8O.C27H32F2N8O.C27H34N8O.C26H31N7O2.C26H29N5O4S/c1-18-16-38-14-13-36(18)25-15-23(32-28(33-25)22-8-11-31-27-21(22)7-10-30-27)26-19(2)34-37(20(26)3)24-9-12-35(6)17-29(24,4)5;1-16-14-38-12-11-36(16)23-13-21(32-26(33-23)20-6-9-31-25-19(20)5-8-30-25)24-17(2)34-37(18(24)3)22-7-10-35(4)15-27(22,28)29;1-17-16-36-13-12-34(17)24-14-23(30-27(31-24)22-8-10-29-26-21(22)7-9-28-26)25-18(2)32-35(19(25)3)20-6-5-11-33(4)15-20;1-16-14-35-11-9-32(16)23-12-22(24-17(2)31-33(18(24)3)13-19-6-10-34-15-19)29-26(30-23)21-5-8-28-25-20(21)4-7-27-25;1-16(2)36(32,33)18-5-6-23(34-4)21(13-18)22-14-24(31-11-12-35-15-17(31)3)30-26(29-22)20-8-10-28-25-19(20)7-9-27-25/h7-8,10-11,15,18,24H,9,12-14,16-17H2,1-6H3,(H,30,31);5-6,8-9,13,16,22H,7,10-12,14-15H2,1-4H3,(H,30,31);7-10,14,17,20H,5-6,11-13,15-16H2,1-4H3,(H,28,29);4-5,7-8,12,16,19H,6,9-11,13-15H2,1-3H3,(H,27,28);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,27,28)/t18-,24?;16-,22?;17-,20?;16-,19?;17-/m11111/s1
InChIKeyAPNSCKILKUFFFS-RSLMVWEMSA-N
MW2505.10 g/mol
LogP20.72
Rot. Bonds23

About (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 167536316) has the molecular formula C135H164F2N36O9S and a molecular weight of 2505.10 g/mol. Its IUPAC name is (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID167536316
Molecular FormulaC135H164F2N36O9S
Molecular Weight2505.10 g/mol
Exact Mass2503.32
IUPAC Name(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1ccc(S(=O)(=O)C(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(C)C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCOC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C29H38N8O.C27H32F2N8O.C27H34N8O.C26H31N7O2.C26H29N5O4S/c1-18-16-38-14-13-36(18)25-15-23(32-28(33-25)22-8-11-31-27-21(22)7-10-30-27)26-19(2)34-37(20(26)3)24-9-12-35(6)17-29(24,4)5;1-16-14-38-12-11-36(16)23-13-21(32-26(33-23)20-6-9-31-25-19(20)5-8-30-25)24-17(2)34-37(18(24)3)22-7-10-35(4)15-27(22,28)29;1-17-16-36-13-12-34(17)24-14-23(30-27(31-24)22-8-10-29-26-21(22)7-9-28-26)25-18(2)32-35(19(25)3)20-6-5-11-33(4)15-20;1-16-14-35-11-9-32(16)23-12-22(24-17(2)31-33(18(24)3)13-19-6-10-34-15-19)29-26(30-23)21-5-8-28-25-20(21)4-7-27-25;1-16(2)36(32,33)18-5-6-23(34-4)21(13-18)22-14-24(31-11-12-35-15-17(31)3)30-26(29-22)20-8-10-28-25-19(20)7-9-27-25/h7-8,10-11,15,18,24H,9,12-14,16-17H2,1-6H3,(H,30,31);5-6,8-9,13,16,22H,7,10-12,14-15H2,1-4H3,(H,30,31);7-10,14,17,20H,5-6,11-13,15-16H2,1-4H3,(H,28,29);4-5,7-8,12,16,19H,6,9-11,13-15H2,1-3H3,(H,27,28);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,27,28)/t18-,24?;16-,22?;17-,20?;16-,19?;17-/m11111/s1
InChIKeyAPNSCKILKUFFFS-RSLMVWEMSA-N
XLogP20.72
TPSA468.25 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.10
LogP ≤ 520.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 167536316) is (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is COc1ccc(S(=O)(=O)C(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(C)C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCOC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is APNSCKILKUFFFS-RSLMVWEMSA-N. The full InChI is InChI=1S/C29H38N8O.C27H32F2N8O.C27H34N8O.C26H31N7O2.C26H29N5O4S/c1-18-16-38-14-13-36(18)25-15-23(32-28(33-25)22-8-11-31-27-21(22)7-10-30-27)26-19(2)34-37(20(26)3)24-9-12-35(6)17-29(24,4)5;1-16-14-38-12-11-36(16)23-13-21(32-26(33-23)20-6-9-31-25-19(20)5-8-30-25)24-17(2)34-37(18(24)3)22-7-10-35(4)15-27(22,28)29;1-17-16-36-13-12-34(17)24-14-23(30-27(31-24)22-8-10-29-26-21(22)7-9-28-26)25-18(2)32-35(19(25)3)20-6-5-11-33(4)15-20;1-16-14-35-11-9-32(16)23-12-22(24-17(2)31-33(18(24)3)13-19-6-10-34-15-19)29-26(30-23)21-5-8-28-25-20(21)4-7-27-25;1-16(2)36(32,33)18-5-6-23(34-4)21(13-18)22-14-24(31-11-12-35-15-17(31)3)30-26(29-22)20-8-10-28-25-19(20)7-9-27-25/h7-8,10-11,15,18,24H,9,12-14,16-17H2,1-6H3,(H,30,31);5-6,8-9,13,16,22H,7,10-12,14-15H2,1-4H3,(H,30,31);7-10,14,17,20H,5-6,11-13,15-16H2,1-4H3,(H,28,29);4-5,7-8,12,16,19H,6,9-11,13-15H2,1-3H3,(H,27,28);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,27,28)/t18-,24?;16-,22?;17-,20?;16-,19?;17-/m11111/s1.
What are the key properties of (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 2505.10 g/mol, XLogP of 20.72, 23 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 167536316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).