4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

C88H74F8N28O9 — CID 160712923

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C24H19F2N7O2.C22H17F2N7O3.2C21H19F2N7O2/c1-12-8-14-20(26)17(9-15(25)21(14)30-12)35-24-19(23(34)27-2)22(28-11-29-24)31-18-10-16(32-33-18)13-6-4-3-5-7-13;1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14;1-9-5-11-17(23)14(6-12(22)18(11)27-9)32-21-16(20(31)24-2)19(25-8-26-21)28-15-7-13(29-30-15)10-3-4-10;1-4-5-11-7-15(30-29-11)28-19-16(20(31)24-3)21(26-9-25-19)32-14-8-13(22)18-12(17(14)23)6-10(2)27-18/h3-11,30H,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31);5-8,10,27H,3-4H2,1-2H3,(H,24,31)(H2,25,26,28,29,30);4-9,27H,1-3H3,(H,24,31)(H2,25,26,28,29,30)/b;;;5-4+
InChIKeyRSCGAYMFTPRZNC-KHFMOQJASA-N
MW1819.73 g/mol
LogP17.49
Rot. Bonds24

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (PubChem CID 160712923) has the molecular formula C88H74F8N28O9 and a molecular weight of 1819.73 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
PubChem CID160712923
Molecular FormulaC88H74F8N28O9
Molecular Weight1819.73 g/mol
Exact Mass1818.61
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
SMILESC/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
InChIInChI=1S/C24H19F2N7O2.C22H17F2N7O3.2C21H19F2N7O2/c1-12-8-14-20(26)17(9-15(25)21(14)30-12)35-24-19(23(34)27-2)22(28-11-29-24)31-18-10-16(32-33-18)13-6-4-3-5-7-13;1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14;1-9-5-11-17(23)14(6-12(22)18(11)27-9)32-21-16(20(31)24-2)19(25-8-26-21)28-15-7-13(29-30-15)10-3-4-10;1-4-5-11-7-15(30-29-11)28-19-16(20(31)24-3)21(26-9-25-19)32-14-8-13(22)18-12(17(14)23)6-10(2)27-18/h3-11,30H,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31);5-8,10,27H,3-4H2,1-2H3,(H,24,31)(H2,25,26,28,29,30);4-9,27H,1-3H3,(H,24,31)(H2,25,26,28,29,30)/b;;;5-4+
InChIKeyRSCGAYMFTPRZNC-KHFMOQJASA-N
XLogP17.49
TPSA495.58 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001819.73
LogP ≤ 517.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[(4,6-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 90147535
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 90431652
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 118446498
4-[(4,6-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 118446797
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122520526
azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
CID 122520623
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520628
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122520710
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 122520801
5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 122520884
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520928
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122520966

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (CID 160712923) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is C/C=C/c1cc(Nc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is RSCGAYMFTPRZNC-KHFMOQJASA-N. The full InChI is InChI=1S/C24H19F2N7O2.C22H17F2N7O3.2C21H19F2N7O2/c1-12-8-14-20(26)17(9-15(25)21(14)30-12)35-24-19(23(34)27-2)22(28-11-29-24)31-18-10-16(32-33-18)13-6-4-3-5-7-13;1-10-6-11-18(24)15(7-12(23)19(11)28-10)34-22-17(21(32)25-2)20(26-9-27-22)29-16-8-13(30-31-16)14-4-3-5-33-14;1-9-5-11-17(23)14(6-12(22)18(11)27-9)32-21-16(20(31)24-2)19(25-8-26-21)28-15-7-13(29-30-15)10-3-4-10;1-4-5-11-7-15(30-29-11)28-19-16(20(31)24-3)21(26-9-25-19)32-14-8-13(22)18-12(17(14)23)6-10(2)27-18/h3-11,30H,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-9,28H,1-2H3,(H,25,32)(H2,26,27,29,30,31);5-8,10,27H,3-4H2,1-2H3,(H,24,31)(H2,25,26,28,29,30);4-9,27H,1-3H3,(H,24,31)(H2,25,26,28,29,30)/b;;;5-4+.
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 1819.73 g/mol, XLogP of 17.49, 24 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 160712923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).