4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile

C35H30FN11 — CID 177316757

About 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile

4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile (PubChem CID 177316757) has the molecular formula C35H30FN11 and a molecular weight of 623.70 g/mol. Its IUPAC name is 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile
• PubChem CID: 177316757
• Molecular Formula: C35H30FN11
• Molecular Weight: 623.70 g/mol
• Exact Mass: 623.27
• IUPAC Name: 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile
• SMILES: N#Cc1nccc(N2CCC3(CC2)CN(Cc2ccc(-n4c(-c5cccnc5N)nc5cnc(-c6ccc(F)cn6)cc54)cc2)C3)n1
• InChI: InChI=1S/C35H30FN11/c36-24-5-8-27(41-18-24)28-16-30-29(19-42-28)43-34(26-2-1-12-40-33(26)38)47(30)25-6-3-23(4-7-25)20-45-21-35(22-45)10-14-46(15-11-35)32-9-13-39-31(17-37)44-32/h1-9,12-13,16,18-19H,10-11,14-15,20-22H2,(H2,38,40)
• InChIKey: XUKXJGYXJXZVCK-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 138.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	623.70
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile (CID 177316757) is 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile is N#Cc1nccc(N2CCC3(CC2)CN(Cc2ccc(-n4c(-c5cccnc5N)nc5cnc(-c6ccc(F)cn6)cc54)cc2)C3)n1.

What is the InChIKey of 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile?

The InChIKey is XUKXJGYXJXZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FN11/c36-24-5-8-27(41-18-24)28-16-30-29(19-42-28)43-34(26-2-1-12-40-33(26)38)47(30)25-6-3-23(4-7-25)20-45-21-35(22-45)10-14-46(15-11-35)32-9-13-39-31(17-37)44-32/h1-9,12-13,16,18-19H,10-11,14-15,20-22H2,(H2,38,40).

What are the key properties of 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile?

4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile has a molecular weight of 623.70 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 177316757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).