5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H21F2N5O — CID 118382251

About 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382251) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382251
• Molecular Formula: C24H21F2N5O
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.17
• IUPAC Name: 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
• InChI: InChI=1S/C24H21F2N5O/c25-20-5-3-4-18(22(20)26)15-6-9-21-19(12-15)23(30-29-21)24(32)28-16-7-8-17(27-13-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H,28,32)(H,29,30)
• InChIKey: IEWBAZRQEGBAED-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382251) is 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.

What is the InChIKey of 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is IEWBAZRQEGBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-20-5-3-4-18(22(20)26)15-6-9-21-19(12-15)23(30-29-21)24(32)28-16-7-8-17(27-13-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H,28,32)(H,29,30).

What are the key properties of 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).