N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile

C105H117ClF14N38O7S — CID 161296866

IUPACN-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCC(=O)N1CCC(n2ncc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c2C)CC1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C#N)c(C2CCCC2)n1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C(F)(F)F)c(-c2cnn(C)c2)n1.Cc1nn(S(C)(=O)=O)cc1Nc1ncc(C#N)c(C2CC2)n1.F[C@H]1CN(C2COC2)CC[C@@H]1n1ncc(Nc2ncc(C(F)(F)F)c(C3CC3)n2)c1Cl.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(NCC)n3)cc2F)C1([2H])[2H]
InChIInChI=1S/C19H21ClF4N6O.C19H21F4N5O3.C19H23F3N6O.C18H21N7.C17H17F3N8.C13H14N6O2S/c20-17-14(27-18-25-5-12(19(22,23)24)16(28-18)10-1-2-10)6-26-30(17)15-3-4-29(7-13(15)21)11-8-31-9-11;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-11-16(10-24-28(11)14-5-7-27(8-6-14)12(2)29)25-18-23-9-15(19(20,21)22)17(26-18)13-3-4-13;1-12-15(10-25(24-12)18(2,3)11-20)22-17-21-9-14(8-19)16(23-17)13-6-4-5-7-13;1-10-13(8-28(26-10)16(2,3)9-21)24-15-22-6-12(17(18,19)20)14(25-15)11-5-23-27(4)7-11;1-8-11(7-19(18-8)22(2,20)21)16-13-15-6-10(5-14)12(17-13)9-3-4-9/h5-6,10-11,13,15H,1-4,7-9H2,(H,25,27,28);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);9-10,13-14H,3-8H2,1-2H3,(H,23,25,26);9-10,13H,4-7H2,1-3H3,(H,21,22,23);5-8H,1-4H3,(H,22,24,25);6-7,9H,3-4H2,1-2H3,(H,15,16,17)/t13-,15-;;;;;/m0...../s1/i;4D2,5D2,6D2,7D2;;;;
InChIKeyVHBYMBHNHFZZAS-VAEBBHINSA-N
MW2364.89 g/mol
LogP19.24
Rot. Bonds27

About N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile

N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 161296866) has the molecular formula C105H117ClF14N38O7S and a molecular weight of 2364.89 g/mol. Its IUPAC name is N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound NameN-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
PubChem CID161296866
Molecular FormulaC105H117ClF14N38O7S
Molecular Weight2364.89 g/mol
Exact Mass2362.97
IUPAC NameN-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCC(=O)N1CCC(n2ncc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c2C)CC1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C#N)c(C2CCCC2)n1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C(F)(F)F)c(-c2cnn(C)c2)n1.Cc1nn(S(C)(=O)=O)cc1Nc1ncc(C#N)c(C2CC2)n1.F[C@H]1CN(C2COC2)CC[C@@H]1n1ncc(Nc2ncc(C(F)(F)F)c(C3CC3)n2)c1Cl.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(NCC)n3)cc2F)C1([2H])[2H]
InChIInChI=1S/C19H21ClF4N6O.C19H21F4N5O3.C19H23F3N6O.C18H21N7.C17H17F3N8.C13H14N6O2S/c20-17-14(27-18-25-5-12(19(22,23)24)16(28-18)10-1-2-10)6-26-30(17)15-3-4-29(7-13(15)21)11-8-31-9-11;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-11-16(10-24-28(11)14-5-7-27(8-6-14)12(2)29)25-18-23-9-15(19(20,21)22)17(26-18)13-3-4-13;1-12-15(10-25(24-12)18(2,3)11-20)22-17-21-9-14(8-19)16(23-17)13-6-4-5-7-13;1-10-13(8-28(26-10)16(2,3)9-21)24-15-22-6-12(17(18,19)20)14(25-15)11-5-23-27(4)7-11;1-8-11(7-19(18-8)22(2,20)21)16-13-15-6-10(5-14)12(17-13)9-3-4-9/h5-6,10-11,13,15H,1-4,7-9H2,(H,25,27,28);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);9-10,13-14H,3-8H2,1-2H3,(H,23,25,26);9-10,13H,4-7H2,1-3H3,(H,21,22,23);5-8H,1-4H3,(H,22,24,25);6-7,9H,3-4H2,1-2H3,(H,15,16,17)/t13-,15-;;;;;/m0...../s1/i;4D2,5D2,6D2,7D2;;;;
InChIKeyVHBYMBHNHFZZAS-VAEBBHINSA-N
XLogP19.24
TPSA546.66 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.89
LogP ≤ 519.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[[2-[[6-[4-[4-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxybenzoyl]morpholin-2-yl]-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopropyl]methyl]-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile
CID 156375777
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 160511821

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile (CID 161296866) is N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile is CC(=O)N1CCC(n2ncc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c2C)CC1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C#N)c(C2CCCC2)n1.Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C(F)(F)F)c(-c2cnn(C)c2)n1.Cc1nn(S(C)(=O)=O)cc1Nc1ncc(C#N)c(C2CC2)n1.F[C@H]1CN(C2COC2)CC[C@@H]1n1ncc(Nc2ncc(C(F)(F)F)c(C3CC3)n2)c1Cl.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(NCC)n3)cc2F)C1([2H])[2H].
What is the InChIKey of N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The InChIKey is VHBYMBHNHFZZAS-VAEBBHINSA-N. The full InChI is InChI=1S/C19H21ClF4N6O.C19H21F4N5O3.C19H23F3N6O.C18H21N7.C17H17F3N8.C13H14N6O2S/c20-17-14(27-18-25-5-12(19(22,23)24)16(28-18)10-1-2-10)6-26-30(17)15-3-4-29(7-13(15)21)11-8-31-9-11;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-11-16(10-24-28(11)14-5-7-27(8-6-14)12(2)29)25-18-23-9-15(19(20,21)22)17(26-18)13-3-4-13;1-12-15(10-25(24-12)18(2,3)11-20)22-17-21-9-14(8-19)16(23-17)13-6-4-5-7-13;1-10-13(8-28(26-10)16(2,3)9-21)24-15-22-6-12(17(18,19)20)14(25-15)11-5-23-27(4)7-11;1-8-11(7-19(18-8)22(2,20)21)16-13-15-6-10(5-14)12(17-13)9-3-4-9/h5-6,10-11,13,15H,1-4,7-9H2,(H,25,27,28);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);9-10,13-14H,3-8H2,1-2H3,(H,23,25,26);9-10,13H,4-7H2,1-3H3,(H,21,22,23);5-8H,1-4H3,(H,22,24,25);6-7,9H,3-4H2,1-2H3,(H,15,16,17)/t13-,15-;;;;;/m0...../s1/i;4D2,5D2,6D2,7D2;;;;.
What are the key properties of N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 2364.89 g/mol, XLogP of 19.24, 27 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 161296866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).