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

C88H80F4N26O10 — CID 159910223

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CC(C)=O)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C24H22FN5O3.C22H18FN7O3.2C21H20FN7O2/c1-13-10-17-18(29-13)8-9-19(21(17)25)33-24-20(23(32)26-3)22(27-12-28-24)30-16-6-4-15(5-7-16)11-14(2)31;1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15;1-10-7-12-13(26-10)5-6-15(18(12)22)31-21-17(20(30)23-2)19(24-9-25-21)27-16-8-14(28-29-16)11-3-4-11;1-4-5-12-9-16(29-28-12)27-19-17(20(30)23-3)21(25-10-24-19)31-15-7-6-14-13(18(15)22)8-11(2)26-14/h4-10,12,29H,11H2,1-3H3,(H,26,32)(H,27,28,30);3-10,27H,1-2H3,(H,24,31)(H2,25,26,28,29,30);5-9,11,26H,3-4H2,1-2H3,(H,23,30)(H2,24,25,27,28,29);4-10,26H,1-3H3,(H,23,30)(H2,24,25,27,28,29)/b;;;5-4+
InChIKeyNXCASOLBVONFIH-KHFMOQJASA-N
MW1737.77 g/mol
LogP16.67
Rot. Bonds25

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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 159910223) has the molecular formula C88H80F4N26O10 and a molecular weight of 1737.77 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
PubChem CID159910223
Molecular FormulaC88H80F4N26O10
Molecular Weight1737.77 g/mol
Exact Mass1736.65
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CC(C)=O)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C24H22FN5O3.C22H18FN7O3.2C21H20FN7O2/c1-13-10-17-18(29-13)8-9-19(21(17)25)33-24-20(23(32)26-3)22(27-12-28-24)30-16-6-4-15(5-7-16)11-14(2)31;1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15;1-10-7-12-13(26-10)5-6-15(18(12)22)31-21-17(20(30)23-2)19(24-9-25-21)27-16-8-14(28-29-16)11-3-4-11;1-4-5-12-9-16(29-28-12)27-19-17(20(30)23-3)21(25-10-24-19)31-15-7-6-14-13(18(15)22)8-11(2)26-14/h4-10,12,29H,11H2,1-3H3,(H,26,32)(H,27,28,30);3-10,27H,1-2H3,(H,24,31)(H2,25,26,28,29,30);5-9,11,26H,3-4H2,1-2H3,(H,23,30)(H2,24,25,27,28,29);4-10,26H,1-3H3,(H,23,30)(H2,24,25,27,28,29)/b;;;5-4+
InChIKeyNXCASOLBVONFIH-KHFMOQJASA-N
XLogP16.67
TPSA483.97 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001737.77
LogP ≤ 516.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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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Related Compounds

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
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-5-fluoro-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 122521011
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
CID 122521095
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide
CID 122521145
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 157313118

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide (CID 159910223) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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(Oc3ccc4[nH]c(C)cc4c3F)c2C(=O)NC)n[nH]1.CNC(=O)c1c(Nc2cc(-c3ccco3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2ccc(CC(C)=O)cc2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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 NXCASOLBVONFIH-KHFMOQJASA-N. The full InChI is InChI=1S/C24H22FN5O3.C22H18FN7O3.2C21H20FN7O2/c1-13-10-17-18(29-13)8-9-19(21(17)25)33-24-20(23(32)26-3)22(27-12-28-24)30-16-6-4-15(5-7-16)11-14(2)31;1-11-8-12-13(27-11)5-6-16(19(12)23)33-22-18(21(31)24-2)20(25-10-26-22)28-17-9-14(29-30-17)15-4-3-7-32-15;1-10-7-12-13(26-10)5-6-15(18(12)22)31-21-17(20(30)23-2)19(24-9-25-21)27-16-8-14(28-29-16)11-3-4-11;1-4-5-12-9-16(29-28-12)27-19-17(20(30)23-3)21(25-10-24-19)31-15-7-6-14-13(18(15)22)8-11(2)26-14/h4-10,12,29H,11H2,1-3H3,(H,26,32)(H,27,28,30);3-10,27H,1-2H3,(H,24,31)(H2,25,26,28,29,30);5-9,11,26H,3-4H2,1-2H3,(H,23,30)(H2,24,25,27,28,29);4-10,26H,1-3H3,(H,23,30)(H2,24,25,27,28,29)/b;;;5-4+.
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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 1737.77 g/mol, XLogP of 16.67, 25 rotatable bonds, 15 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-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-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 159910223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).