1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide

C21H17FN4O2 — CID 58138877

IUPAC1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1ccc(CO)nc1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O2/c22-15-5-8-17(9-6-15)26-20-3-1-2-18(19(20)12-25-26)21(28)24-11-14-4-7-16(13-27)23-10-14/h1-10,12,27H,11,13H2,(H,24,28)
InChIKeyYSOUXXXYAZIVAI-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide (PubChem CID 58138877) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide
PubChem CID58138877
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1ccc(CO)nc1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O2/c22-15-5-8-17(9-6-15)26-20-3-1-2-18(19(20)12-25-26)21(28)24-11-14-4-7-16(13-27)23-10-14/h1-10,12,27H,11,13H2,(H,24,28)
InChIKeyYSOUXXXYAZIVAI-UHFFFAOYSA-N
XLogP2.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide (CID 58138877) is 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide is O=C(NCc1ccc(CO)nc1)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide?
The InChIKey is YSOUXXXYAZIVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-15-5-8-17(9-6-15)26-20-3-1-2-18(19(20)12-25-26)21(28)24-11-14-4-7-16(13-27)23-10-14/h1-10,12,27H,11,13H2,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).