3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen

C62H77F6N15O3 — CID 158304326

IUPAC3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(C2C=CC(C(F)(F)F)=C(C(=O)c3cccnc3N)N2)CCN1.N#Cc1ccc2c(c1)c(C(=O)c1cccnc1N)nn2C1CCNCC1.Nc1ncccc1C(=O)c1cc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H21F3N4O.C20H26F3N5O.C19H18N6O.6H2/c24-23(25,26)19-9-8-16(13-18(19)21(31)17-7-4-10-29-22(17)27)30-12-11-28-20(14-30)15-5-2-1-3-6-15;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;20-11-12-3-4-16-15(10-12)17(18(26)14-2-1-7-23-19(14)21)24-25(16)13-5-8-22-9-6-13;;;;;;/h1-10,13,20,28H,11-12,14H2,(H2,27,29);3-7,12-13,16,25,27H,8-11H2,1-2H3,(H2,24,26);1-4,7,10,13,22H,5-6,8-9H2,(H2,21,23);6*1H/t;13-,16?;;;;;;;/m.0......./s1
InChIKeyGMWUUCPJXHUYAG-ZCARBFGASA-N
MW1194.39 g/mol
LogP10.05
Rot. Bonds12

About 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen

3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen (PubChem CID 158304326) has the molecular formula C62H77F6N15O3 and a molecular weight of 1194.39 g/mol. Its IUPAC name is 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen
PubChem CID158304326
Molecular FormulaC62H77F6N15O3
Molecular Weight1194.39 g/mol
Exact Mass1193.62
IUPAC Name3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(C2C=CC(C(F)(F)F)=C(C(=O)c3cccnc3N)N2)CCN1.N#Cc1ccc2c(c1)c(C(=O)c1cccnc1N)nn2C1CCNCC1.Nc1ncccc1C(=O)c1cc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H21F3N4O.C20H26F3N5O.C19H18N6O.6H2/c24-23(25,26)19-9-8-16(13-18(19)21(31)17-7-4-10-29-22(17)27)30-12-11-28-20(14-30)15-5-2-1-3-6-15;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;20-11-12-3-4-16-15(10-12)17(18(26)14-2-1-7-23-19(14)21)24-25(16)13-5-8-22-9-6-13;;;;;;/h1-10,13,20,28H,11-12,14H2,(H2,27,29);3-7,12-13,16,25,27H,8-11H2,1-2H3,(H2,24,26);1-4,7,10,13,22H,5-6,8-9H2,(H2,21,23);6*1H/t;13-,16?;;;;;;;/m.0......./s1
InChIKeyGMWUUCPJXHUYAG-ZCARBFGASA-N
XLogP10.05
TPSA264.15 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001194.39
LogP ≤ 510.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen with MolForge

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Related Compounds

US9796741, cmp No. 105
CID 118323526
1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334461
[5-Methyl-2-(3-methylpyrazol-1-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]ethyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123214932
1-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(6-piperazin-1-yl-3-pyridinyl)butan-1-one
CID 123348013
[5-Methyl-2-[2-[[3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-4-yl]methyl]-4-pyridinyl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123407128
[5-Fluoro-2-[4-[[1-[6-fluoro-3-methyl-2-(triazol-2-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-3-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123753847
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)pyrrolidine-2-carboxamide
CID 124000484
1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 134222237
1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-3-ylindazole-3-carboxamide
CID 134222443
[5-methyl-2-[2-[[(2S,3R)-3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-4-yl]methyl]pyridin-4-yl]phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 134408473
(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-(7-methyl-2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)pyrrolidine-2-carboxamide
CID 146238512
N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridazin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157172471

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen?
The IUPAC name of 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen (CID 158304326) is 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen.
What is the SMILES notation for 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen?
The canonical SMILES for 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(C2C=CC(C(F)(F)F)=C(C(=O)c3cccnc3N)N2)CCN1.N#Cc1ccc2c(c1)c(C(=O)c1cccnc1N)nn2C1CCNCC1.Nc1ncccc1C(=O)c1cc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen?
The InChIKey is GMWUUCPJXHUYAG-ZCARBFGASA-N. The full InChI is InChI=1S/C23H21F3N4O.C20H26F3N5O.C19H18N6O.6H2/c24-23(25,26)19-9-8-16(13-18(19)21(31)17-7-4-10-29-22(17)27)30-12-11-28-20(14-30)15-5-2-1-3-6-15;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;20-11-12-3-4-16-15(10-12)17(18(26)14-2-1-7-23-19(14)21)24-25(16)13-5-8-22-9-6-13;;;;;;/h1-10,13,20,28H,11-12,14H2,(H2,27,29);3-7,12-13,16,25,27H,8-11H2,1-2H3,(H2,24,26);1-4,7,10,13,22H,5-6,8-9H2,(H2,21,23);6*1H/t;13-,16?;;;;;;;/m.0......./s1.
What are the key properties of 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen?
3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen has a molecular weight of 1194.39 g/mol, XLogP of 10.05, 12 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyridine-3-carbonyl)-1-piperidin-4-ylindazole-5-carbonitrile;(2-amino-3-pyridinyl)-[2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-5-(trifluoromethyl)-1,2-dihydropyridin-6-yl]methanone;(2-amino-3-pyridinyl)-[5-(3-phenylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 158304326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).