N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H31N7O — CID 123268537

About N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 123268537) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 123268537
• Molecular Formula: C27H31N7O
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.26
• IUPAC Name: N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(NC1=CN=C(N2CCC2)CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C27H31N7O/c35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33/h5,7,13-17H,1-4,6,8-12,18H2,(H,30,35)(H,31,32)
• InChIKey: QMVDSSKPFQPUPB-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 89.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 123268537) is N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1=CN=C(N2CCC2)CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is QMVDSSKPFQPUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33/h5,7,13-17H,1-4,6,8-12,18H2,(H,30,35)(H,31,32).

What are the key properties of N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(azetidin-1-yl)-3,4-dihydropyridin-5-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123268537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).