N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H37N7O — CID 144555377

About N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 144555377) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 144555377
• Molecular Formula: C30H37N7O
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.31
• IUPAC Name: N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CCCN(C)c1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CCN5CCCCC5)c4)cc23)cc1C
• InChI: InChI=1S/C30H37N7O/c1-4-11-36(3)29-21(2)15-25(20-32-29)33-30(38)28-26-17-23(8-9-27(26)34-35-28)24-16-22(18-31-19-24)10-14-37-12-6-5-7-13-37/h8-9,15-20H,4-7,10-14H2,1-3H3,(H,33,38)(H,34,35)
• InChIKey: OEIRGBNMTLFYTQ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 144555377) is N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CCCN(C)c1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CCN5CCCCC5)c4)cc23)cc1C.

What is the InChIKey of N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is OEIRGBNMTLFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-4-11-36(3)29-21(2)15-25(20-32-29)33-30(38)28-26-17-23(8-9-27(26)34-35-28)24-16-22(18-31-19-24)10-14-37-12-6-5-7-13-37/h8-9,15-20H,4-7,10-14H2,1-3H3,(H,33,38)(H,34,35).

What are the key properties of N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).