1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide

C24H29N7O2 — CID 153404082

About 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide

1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide (PubChem CID 153404082) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
• PubChem CID: 153404082
• Molecular Formula: C24H29N7O2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.24
• IUPAC Name: 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
• SMILES: Cc1nc(N2CC3CC(C2)C3O)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1
• InChI: InChI=1S/C24H29N7O2/c1-13-15(3-6-21(26-13)30-9-16-7-17(10-30)23(16)32)11-31-12-18(8-25-31)24(33)27-20-5-4-19-14(2)28-29-22(19)20/h3,6,8,12,16-17,20,23,32H,4-5,7,9-11H2,1-2H3,(H,27,33)(H,28,29)
• InChIKey: PQKKKXAATMPGTL-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 111.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide?

The IUPAC name of 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide (CID 153404082) is 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide?

The canonical SMILES for 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide is Cc1nc(N2CC3CC(C2)C3O)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1.

What is the InChIKey of 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide?

The InChIKey is PQKKKXAATMPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-13-15(3-6-21(26-13)30-9-16-7-17(10-30)23(16)32)11-31-12-18(8-25-31)24(33)27-20-5-4-19-14(2)28-29-22(19)20/h3,6,8,12,16-17,20,23,32H,4-5,7,9-11H2,1-2H3,(H,27,33)(H,28,29).

What are the key properties of 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide?

1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 153404082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).