N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H22N6O3 — CID 90012653

About N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012653) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 90012653
• Molecular Formula: C23H22N6O3
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.18
• IUPAC Name: N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(NCC1CC12CCN(C(=O)c1cc3ncccn3n1)CC2)c1cc2ccncc2o1
• InChI: InChI=1S/C23H22N6O3/c30-21(18-10-15-2-6-24-14-19(15)32-18)26-13-16-12-23(16)3-8-28(9-4-23)22(31)17-11-20-25-5-1-7-29(20)27-17/h1-2,5-7,10-11,14,16H,3-4,8-9,12-13H2,(H,26,30)
• InChIKey: LNIHQOLGDQDKEZ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 105.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012653) is N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1cc3ncccn3n1)CC2)c1cc2ccncc2o1.

What is the InChIKey of N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is LNIHQOLGDQDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-21(18-10-15-2-6-24-14-19(15)32-18)26-13-16-12-23(16)3-8-28(9-4-23)22(31)17-11-20-25-5-1-7-29(20)27-17/h1-2,5-7,10-11,14,16H,3-4,8-9,12-13H2,(H,26,30).

What are the key properties of N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).