(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C81H84F6N18O6 — CID 160979000

IUPAC(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1nc(N2CCN[C@@H](CC(C)C)C2)ccc1-c1cnn(C)c1.Cc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NCCCO)ccc1C(F)(F)F
InChIInChI=1S/C24H30N6O.C21H18F3N3O2.C21H21N5O.C15H15F3N4O2/c1-16(2)12-19-15-30(11-10-26-19)22-8-7-21(18-13-27-29(4)14-18)23(28-22)24(31)20-6-5-9-25-17(20)3;1-13-15(8-5-11-25-13)20(29)19-16(21(22,23)24)9-10-18(27-19)26-12-17(28)14-6-3-2-4-7-14;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;16-15(17,18)10-4-5-11(20-7-2-8-23)22-12(10)13(24)9-3-1-6-21-14(9)19/h5-9,13-14,16,19,26H,10-12,15H2,1-4H3;2-11,17,28H,12H2,1H3,(H,26,27);1-10,23H,11-14H2,(H2,22,24);1,3-6,23H,2,7-8H2,(H2,19,21)(H,20,22)/t19-;17-;;/m01../s1
InChIKeySZGNFLHOMSEBSF-UDZLZCOSSA-N
MW1519.67 g/mol
LogP11.89
Rot. Bonds22

About (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 160979000) has the molecular formula C81H84F6N18O6 and a molecular weight of 1519.67 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID160979000
Molecular FormulaC81H84F6N18O6
Molecular Weight1519.67 g/mol
Exact Mass1518.67
IUPAC Name(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1nc(N2CCN[C@@H](CC(C)C)C2)ccc1-c1cnn(C)c1.Cc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NCCCO)ccc1C(F)(F)F
InChIInChI=1S/C24H30N6O.C21H18F3N3O2.C21H21N5O.C15H15F3N4O2/c1-16(2)12-19-15-30(11-10-26-19)22-8-7-21(18-13-27-29(4)14-18)23(28-22)24(31)20-6-5-9-25-17(20)3;1-13-15(8-5-11-25-13)20(29)19-16(21(22,23)24)9-10-18(27-19)26-12-17(28)14-6-3-2-4-7-14;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;16-15(17,18)10-4-5-11(20-7-2-8-23)22-12(10)13(24)9-3-1-6-21-14(9)19/h5-9,13-14,16,19,26H,10-12,15H2,1-4H3;2-11,17,28H,12H2,1H3,(H,26,27);1-10,23H,11-14H2,(H2,22,24);1,3-6,23H,2,7-8H2,(H2,19,21)(H,20,22)/t19-;17-;;/m01../s1
InChIKeySZGNFLHOMSEBSF-UDZLZCOSSA-N
XLogP11.89
TPSA336.32 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001519.67
LogP ≤ 511.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-hydroxy-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 121493710
Bis[[4-[[4-[[6-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-(methylcarbamoyl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methoxy]-oxophosphanium
CID 89824086
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[(2-phenylmorpholin-4-yl)methyl]pyrazol-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117925883
5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide
CID 123226144
3-[(1-methylpyrazol-4-yl)amino]-5-[(2R,3R)-2-methyl-3-[[4-(2,2,2-trifluoro-1-hydroxyethyl)benzoyl]amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 124109943
3-[(1-methylpyrazol-4-yl)amino]-5-[(2R,3R)-2-methyl-3-[[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]benzoyl]amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361848
3-[(1-methylpyrazol-4-yl)amino]-5-[(2R,3R)-2-methyl-3-[[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]benzoyl]amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361945
[6-[[(2R)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157678839
[6-[(4-amino-3-phenylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159024332
sodium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;boranuide;N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 159050482
[6-[[(2R)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159444107
(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 159555797

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 160979000) is (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1nc(N2CCN[C@@H](CC(C)C)C2)ccc1-c1cnn(C)c1.Cc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NCCCO)ccc1C(F)(F)F.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is SZGNFLHOMSEBSF-UDZLZCOSSA-N. The full InChI is InChI=1S/C24H30N6O.C21H18F3N3O2.C21H21N5O.C15H15F3N4O2/c1-16(2)12-19-15-30(11-10-26-19)22-8-7-21(18-13-27-29(4)14-18)23(28-22)24(31)20-6-5-9-25-17(20)3;1-13-15(8-5-11-25-13)20(29)19-16(21(22,23)24)9-10-18(27-19)26-12-17(28)14-6-3-2-4-7-14;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;16-15(17,18)10-4-5-11(20-7-2-8-23)22-12(10)13(24)9-3-1-6-21-14(9)19/h5-9,13-14,16,19,26H,10-12,15H2,1-4H3;2-11,17,28H,12H2,1H3,(H,26,27);1-10,23H,11-14H2,(H2,22,24);1,3-6,23H,2,7-8H2,(H2,19,21)(H,20,22)/t19-;17-;;/m01../s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 1519.67 g/mol, XLogP of 11.89, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 160979000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).