1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

C25H16FN5O3 — CID 174725752

IUPAC1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)Nc2cncc(-c3cccc(F)c3)c2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C25H16FN5O3/c26-19-5-1-3-15(9-19)18-10-20(14-28-13-18)29-25(34)31-22-7-6-16(17-4-2-8-27-12-17)11-21(22)23(30-31)24(32)33/h1-14H,(H,29,34)(H,32,33)
InChIKeyXAIBVHJYLMXSFQ-UHFFFAOYSA-N
MW453.43 g/mol
LogP5.08
Rot. Bonds4

About 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (PubChem CID 174725752) has the molecular formula C25H16FN5O3 and a molecular weight of 453.43 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
PubChem CID174725752
Molecular FormulaC25H16FN5O3
Molecular Weight453.43 g/mol
Exact Mass453.12
IUPAC Name1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)Nc2cncc(-c3cccc(F)c3)c2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C25H16FN5O3/c26-19-5-1-3-15(9-19)18-10-20(14-28-13-18)29-25(34)31-22-7-6-16(17-4-2-8-27-12-17)11-21(22)23(30-31)24(32)33/h1-14H,(H,29,34)(H,32,33)
InChIKeyXAIBVHJYLMXSFQ-UHFFFAOYSA-N
XLogP5.08
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725876
5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid
CID 174725773
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835308
5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1-[[5-[(dimethylamino)methyl]-3-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835297
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
CID 126623066
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137111755
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
(2-borono-5-pyridin-3-ylphenyl)carbamic acid
CID 175306563

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The IUPAC name of 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (CID 174725752) is 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The canonical SMILES for 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is O=C(O)c1nn(C(=O)Nc2cncc(-c3cccc(F)c3)c2)c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The InChIKey is XAIBVHJYLMXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5O3/c26-19-5-1-3-15(9-19)18-10-20(14-28-13-18)29-25(34)31-22-7-6-16(17-4-2-8-27-12-17)11-21(22)23(30-31)24(32)33/h1-14H,(H,29,34)(H,32,33).
What are the key properties of 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid has a molecular weight of 453.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is sourced from PubChem (CID 174725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).