4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

C80H68F6N24O8 — CID 160524944

IUPAC4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C28H23F2N9O2.C27H23F2N7O4.C25H22F2N8O2/c1-4-39(3)28(40)23-26(36-22-12-19(37-38-22)15-5-6-18-20(10-15)32-8-7-31-18)33-13-34-27(23)41-21-11-17(29)25-16(24(21)30)9-14(2)35-25;1-4-36(3)27(37)22-25(33-21-10-17(34-35-21)14-5-6-18-19(8-14)39-12-38-18)30-11-31-26(22)40-20-9-16(28)24-15(23(20)29)7-13(2)32-24;1-4-35(3)25(36)20-23(32-19-11-17(33-34-19)16-7-5-6-8-28-16)29-12-30-24(20)37-18-10-15(26)22-14(21(18)27)9-13(2)31-22/h5-13,35H,4H2,1-3H3,(H2,33,34,36,37,38);5-11,32H,4,12H2,1-3H3,(H2,30,31,33,34,35);5-12,31H,4H2,1-3H3,(H2,29,30,32,33,34)
InChIKeyQUTNUOLVINOFSB-UHFFFAOYSA-N
MW1607.57 g/mol
LogP15.75
Rot. Bonds21

About 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 160524944) has the molecular formula C80H68F6N24O8 and a molecular weight of 1607.57 g/mol. Its IUPAC name is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID160524944
Molecular FormulaC80H68F6N24O8
Molecular Weight1607.57 g/mol
Exact Mass1606.56
IUPAC Name4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCCN(C)C(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C28H23F2N9O2.C27H23F2N7O4.C25H22F2N8O2/c1-4-39(3)28(40)23-26(36-22-12-19(37-38-22)15-5-6-18-20(10-15)32-8-7-31-18)33-13-34-27(23)41-21-11-17(29)25-16(24(21)30)9-14(2)35-25;1-4-36(3)27(37)22-25(33-21-10-17(34-35-21)14-5-6-18-19(8-14)39-12-38-18)30-11-31-26(22)40-20-9-16(28)24-15(23(20)29)7-13(2)32-24;1-4-35(3)25(36)20-23(32-19-11-17(33-34-19)16-7-5-6-8-28-16)29-12-30-24(20)37-18-10-15(26)22-14(21(18)27)9-13(2)31-22/h5-13,35H,4H2,1-3H3,(H2,33,34,36,37,38);5-11,32H,4,12H2,1-3H3,(H2,30,31,33,34,35);5-12,31H,4H2,1-3H3,(H2,29,30,32,33,34)
InChIKeyQUTNUOLVINOFSB-UHFFFAOYSA-N
XLogP15.75
TPSA392.59 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.57
LogP ≤ 515.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520509
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520577
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520578
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide
CID 122520669
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520672
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520940
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520957
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide
CID 122521074
azetidin-1-yl-[4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone
CID 122521093
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 122521140
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122521146
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 134573363

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (CID 160524944) is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CCN(C)C(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is QUTNUOLVINOFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N9O2.C27H23F2N7O4.C25H22F2N8O2/c1-4-39(3)28(40)23-26(36-22-12-19(37-38-22)15-5-6-18-20(10-15)32-8-7-31-18)33-13-34-27(23)41-21-11-17(29)25-16(24(21)30)9-14(2)35-25;1-4-36(3)27(37)22-25(33-21-10-17(34-35-21)14-5-6-18-19(8-14)39-12-38-18)30-11-31-26(22)40-20-9-16(28)24-15(23(20)29)7-13(2)32-24;1-4-35(3)25(36)20-23(32-19-11-17(33-34-19)16-7-5-6-8-28-16)29-12-30-24(20)37-18-10-15(26)22-14(21(18)27)9-13(2)31-22/h5-13,35H,4H2,1-3H3,(H2,33,34,36,37,38);5-11,32H,4,12H2,1-3H3,(H2,30,31,33,34,35);5-12,31H,4H2,1-3H3,(H2,29,30,32,33,34).
What are the key properties of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 1607.57 g/mol, XLogP of 15.75, 21 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-quinoxalin-6-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 160524944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).