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

C27H36N6O — CID 118382252

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

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 118382252) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
• PubChem CID: 118382252
• Molecular Formula: C27H36N6O
• Molecular Weight: 460.63 g/mol
• Exact Mass: 460.30
• IUPAC Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
• SMILES: CC(C)(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)CC1
• InChI: InChI=1S/C27H36N6O/c1-27(2,3)18-33-11-7-22(8-12-33)29-26(34)25-23-14-20(5-6-24(23)30-31-25)21-13-19(15-28-16-21)17-32-9-4-10-32/h5-6,13-16,22H,4,7-12,17-18H2,1-3H3,(H,29,34)(H,30,31)
• InChIKey: MCPPGTULWVUVPD-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.63
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 118382252) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is CC(C)(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)CC1.

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

The InChIKey is MCPPGTULWVUVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-27(2,3)18-33-11-7-22(8-12-33)29-26(34)25-23-14-20(5-6-24(23)30-31-25)21-13-19(15-28-16-21)17-32-9-4-10-32/h5-6,13-16,22H,4,7-12,17-18H2,1-3H3,(H,29,34)(H,30,31).

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

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 460.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).