(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C23H33N5O — CID 92628342

About (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 92628342) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• PubChem CID: 92628342
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• SMILES: CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NC3CCN(Cc4ccccn4)CC3)c2C1
• InChI: InChI=1S/C23H33N5O/c1-23(2,3)16-7-8-20-19(14-16)21(27-26-20)22(29)25-17-9-12-28(13-10-17)15-18-6-4-5-11-24-18/h4-6,11,16-17H,7-10,12-15H2,1-3H3,(H,25,29)(H,26,27)/t16-/m1/s1
• InChIKey: BSGGUUHVZMIFCF-MRXNPFEDSA-N
• XLogP: 3.35
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The IUPAC name of (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 92628342) is (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

What is the SMILES notation for (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The canonical SMILES for (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NC3CCN(Cc4ccccn4)CC3)c2C1.

What is the InChIKey of (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The InChIKey is BSGGUUHVZMIFCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H33N5O/c1-23(2,3)16-7-8-20-19(14-16)21(27-26-20)22(29)25-17-9-12-28(13-10-17)15-18-6-4-5-11-24-18/h4-6,11,16-17H,7-10,12-15H2,1-3H3,(H,25,29)(H,26,27)/t16-/m1/s1.

What are the key properties of (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 92628342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).