1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C22H26N8O — CID 146392302

About 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146392302) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
• PubChem CID: 146392302
• Molecular Formula: C22H26N8O
• Molecular Weight: 418.51 g/mol
• Exact Mass: 418.22
• IUPAC Name: 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
• SMILES: Cc1nc(N2CC3(CC3)C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
• InChI: InChI=1S/C22H26N8O/c1-13-15(7-23-21(25-13)29-11-22(12-29)5-6-22)9-30-10-16(8-24-30)20(31)26-18-4-3-17-14(2)27-28-19(17)18/h7-8,10,18H,3-6,9,11-12H2,1-2H3,(H,26,31)(H,27,28)/t18-/m1/s1
• InChIKey: YKAUXTQROHLSPJ-GOSISDBHSA-N
• XLogP: 2.08
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.51
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146392302) is 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2CC3(CC3)C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1.

What is the InChIKey of 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The InChIKey is YKAUXTQROHLSPJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N8O/c1-13-15(7-23-21(25-13)29-11-22(12-29)5-6-22)9-30-10-16(8-24-30)20(31)26-18-4-3-17-14(2)27-28-19(17)18/h7-8,10,18H,3-6,9,11-12H2,1-2H3,(H,26,31)(H,27,28)/t18-/m1/s1.

What are the key properties of 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 146392302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).