N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H25FN6O — CID 89451012

About N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451012) has the molecular formula C29H25FN6O and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89451012
• Molecular Formula: C29H25FN6O
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.21
• IUPAC Name: N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
• InChI: InChI=1S/C29H25FN6O/c30-23-5-3-4-21(13-23)26-9-7-24(17-32-26)33-29(37)28-25-14-20(6-8-27(25)34-35-28)22-12-19(15-31-16-22)18-36-10-1-2-11-36/h3-9,12-17H,1-2,10-11,18H2,(H,33,37)(H,34,35)
• InChIKey: FNOYGMPFBBUSQF-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451012) is N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.

What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is FNOYGMPFBBUSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O/c30-23-5-3-4-21(13-23)26-9-7-24(17-32-26)33-29(37)28-25-14-20(6-8-27(25)34-35-28)22-12-19(15-31-16-22)18-36-10-1-2-11-36/h3-9,12-17H,1-2,10-11,18H2,(H,33,37)(H,34,35).

What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).