1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane

C55H56Cl2F2N10O5 — CID 158512875

IUPAC1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane
SMILESC.Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.Cc1cc(C(=O)O)n(-c2ccc(Cl)cn2)n1.Nc1cc(C(O)(CCC2CC2)c2ccccn2)ccc1F
InChIInChI=1S/C27H25ClFN5O2.C17H19FN2O.C10H8ClN3O2.CH4/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24;18-14-7-6-13(11-15(14)19)17(21,9-8-12-4-5-12)16-3-1-2-10-20-16;1-6-4-8(10(15)16)14(13-6)9-3-2-7(11)5-12-9;/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35);1-3,6-7,10-12,21H,4-5,8-9,19H2;2-5H,1H3,(H,15,16);1H4
InChIKeyHLGTTZFOFUGFBC-UHFFFAOYSA-N
MW1046.02 g/mol
LogP11.23
Rot. Bonds15

About 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane

1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane (PubChem CID 158512875) has the molecular formula C55H56Cl2F2N10O5 and a molecular weight of 1046.02 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane
PubChem CID158512875
Molecular FormulaC55H56Cl2F2N10O5
Molecular Weight1046.02 g/mol
Exact Mass1044.38
IUPAC Name1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane
SMILESC.Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.Cc1cc(C(=O)O)n(-c2ccc(Cl)cn2)n1.Nc1cc(C(O)(CCC2CC2)c2ccccn2)ccc1F
InChIInChI=1S/C27H25ClFN5O2.C17H19FN2O.C10H8ClN3O2.CH4/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24;18-14-7-6-13(11-15(14)19)17(21,9-8-12-4-5-12)16-3-1-2-10-20-16;1-6-4-8(10(15)16)14(13-6)9-3-2-7(11)5-12-9;/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35);1-3,6-7,10-12,21H,4-5,8-9,19H2;2-5H,1H3,(H,15,16);1H4
InChIKeyHLGTTZFOFUGFBC-UHFFFAOYSA-N
XLogP11.23
TPSA220.08 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.02
LogP ≤ 511.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane with MolForge

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Related Compounds

1-(5-chloropyridin-2-yl)-N-(5-(3-cyclopropyl-1-hydroxy-1-(pyridin-2-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355989
2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681690
4-[2-(3-Chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylic acid;methyl 4-[2-(3-chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylate
CID 157201197
1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-6-iodo-8-methyl-3,1-benzoxazin-4-one
CID 157307350
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 158735559
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;methane
CID 159685404
[2-(3-Chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]boronic acid;6-[2-(3-chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 160519887
4-[2-(3-Chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxamide;4-[2-(3-chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylic acid
CID 160930808
1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-6-isocyano-8-methyl-3,1-benzoxazin-4-one
CID 161990553
(7-chloro-1,6-naphthyridin-2-yl)-(1-methylpiperidin-4-yl)methanone;1-(7-chloro-1,6-naphthyridin-2-yl)-2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol;bis((1R)-2,2,2-trifluoro-1-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol);(1S)-2,2,2-trifluoro-1-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 168418845
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]-4-fluorobenzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-[6-[(4-fluorobenzoyl)amino]-3-pyridinyl]propanoic acid;4-fluoro-N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
CID 157126821
[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-2-pyridinyl]-4-fluorobenzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-[6-[(4-fluorobenzoyl)amino]-3-pyridinyl]propanoic acid;4-fluoro-N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
CID 157390029

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane (CID 158512875) is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane is C.Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.Cc1cc(C(=O)O)n(-c2ccc(Cl)cn2)n1.Nc1cc(C(O)(CCC2CC2)c2ccccn2)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane?
The InChIKey is HLGTTZFOFUGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2.C17H19FN2O.C10H8ClN3O2.CH4/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24;18-14-7-6-13(11-15(14)19)17(21,9-8-12-4-5-12)16-3-1-2-10-20-16;1-6-4-8(10(15)16)14(13-6)9-3-2-7(11)5-12-9;/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35);1-3,6-7,10-12,21H,4-5,8-9,19H2;2-5H,1H3,(H,15,16);1H4.
What are the key properties of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane?
1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane has a molecular weight of 1046.02 g/mol, XLogP of 11.23, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;methane is sourced from PubChem (CID 158512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).