5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide

C27H36N6O — CID 118381779

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381779) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
• PubChem CID: 118381779
• Molecular Formula: C27H36N6O
• Molecular Weight: 460.63 g/mol
• Exact Mass: 460.30
• IUPAC Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1
• InChI: InChI=1S/C27H36N6O/c1-19(2)33-12-8-23(9-13-33)29-27(34)26-24-15-21(6-7-25(24)30-31-26)22-14-20(16-28-17-22)18-32-10-4-3-5-11-32/h6-7,14-17,19,23H,3-5,8-13,18H2,1-2H3,(H,29,34)(H,30,31)
• InChIKey: SDOXZUGKXVSGGJ-UHFFFAOYSA-N
• XLogP: 4.21
• 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	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381779) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1.

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

The InChIKey is SDOXZUGKXVSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-19(2)33-12-8-23(9-13-33)29-27(34)26-24-15-21(6-7-25(24)30-31-26)22-14-20(16-28-17-22)18-32-10-4-3-5-11-32/h6-7,14-17,19,23H,3-5,8-13,18H2,1-2H3,(H,29,34)(H,30,31).

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 460.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).