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

C31H32N6O — CID 144555502

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

ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 144555502) has the molecular formula C31H32N6O and a molecular weight of 504.64 g/mol. Its IUPAC name is ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 144555502
• Molecular Formula: C31H32N6O
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.26
• IUPAC Name: ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC.O=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
• InChI: InChI=1S/C29H26N6O.C2H6/c36-29(32-24-9-11-26(31-18-24)21-6-2-1-3-7-21)28-25-15-22(8-10-27(25)33-34-28)23-14-20(16-30-17-23)19-35-12-4-5-13-35;1-2/h1-3,6-11,14-18H,4-5,12-13,19H2,(H,32,36)(H,33,34);1-2H3
• InChIKey: SFGCXGCSIUNADP-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 144555502) is ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC.O=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.

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

The InChIKey is SFGCXGCSIUNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C2H6/c36-29(32-24-9-11-26(31-18-24)21-6-2-1-3-7-21)28-25-15-22(8-10-27(25)33-34-28)23-14-20(16-30-17-23)19-35-12-4-5-13-35;1-2/h1-3,6-11,14-18H,4-5,12-13,19H2,(H,32,36)(H,33,34);1-2H3.

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

ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).