2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one

C22H26N6O — CID 159766689

IUPAC2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCCC5=O)C4)n3)cc21
InChIInChI=1S/C22H26N6O/c1-15(2)28-14-25-18-12-24-17(11-19(18)28)10-16-5-8-23-21(26-16)27-9-7-22(13-27)6-3-4-20(22)29/h5,8,11-12,14-15H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyNFPBDGXXXBDIRF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one

2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one (PubChem CID 159766689) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one
PubChem CID159766689
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCCC5=O)C4)n3)cc21
InChIInChI=1S/C22H26N6O/c1-15(2)28-14-25-18-12-24-17(11-19(18)28)10-16-5-8-23-21(26-16)27-9-7-22(13-27)6-3-4-20(22)29/h5,8,11-12,14-15H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyNFPBDGXXXBDIRF-UHFFFAOYSA-N
XLogP3.34
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one?
The IUPAC name of 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one (CID 159766689) is 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one.
What is the SMILES notation for 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one?
The canonical SMILES for 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one is CC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCCC5=O)C4)n3)cc21.
What is the InChIKey of 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one?
The InChIKey is NFPBDGXXXBDIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15(2)28-14-25-18-12-24-17(11-19(18)28)10-16-5-8-23-21(26-16)27-9-7-22(13-27)6-3-4-20(22)29/h5,8,11-12,14-15H,3-4,6-7,9-10,13H2,1-2H3.
What are the key properties of 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one?
2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one has a molecular weight of 390.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one is sourced from PubChem (CID 159766689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).