5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone

C44H35F2N7O4 — CID 159506571

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C24H21FN4O2.C20H14FN3O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-6,11-14H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyMABICZYCNOVGDU-UHFFFAOYSA-N
MW763.81 g/mol
LogP8.65
Rot. Bonds6

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone (PubChem CID 159506571) has the molecular formula C44H35F2N7O4 and a molecular weight of 763.81 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
PubChem CID159506571
Molecular FormulaC44H35F2N7O4
Molecular Weight763.81 g/mol
Exact Mass763.27
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C24H21FN4O2.C20H14FN3O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-6,11-14H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyMABICZYCNOVGDU-UHFFFAOYSA-N
XLogP8.65
TPSA149.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.81
LogP ≤ 58.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-5-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117074050
N-[(2S)-2-hydroxy-2-phenylethyl]-5-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117074052
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-(1H-indazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117074245
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-(1H-indazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117074249
4-[4-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]ethyl]piperidin-1-yl]benzoic acid
CID 16660328
N-(2-methoxyethyl)-N,1-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide
CID 57943227
N-(2-methoxyethyl)-1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide
CID 57943906
methyl 5-(2-(4-fluoro-3-methylphenyl)pyridin-3-yl)-1H-indazole-7-carboxylate
CID 86715493
5-(2-(4-Fluoro-3-methylphenyl)pyridin-3-yl)-1H-indazole-7-carboxylic acid
CID 86715495
(5-(2-(4-fluoro-3-methylphenyl)pyridin-3-yl)-1H-indazol-7-yl)(morpholino)methanone
CID 86715496
Ethyl 5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylate;5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylic acid
CID 87301802
4-carbamoyl-5-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyrido[4,3-b]indole-8-carboxylic acid
CID 122604896

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone (CID 159506571) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone is Cc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The InChIKey is MABICZYCNOVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C20H14FN3O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29;1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-6,11-14H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone has a molecular weight of 763.81 g/mol, XLogP of 8.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159506571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).