3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane

C23H31N7 — CID 158727264

IUPAC3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCNCC5)CC4)n3)cc21
InChIInChI=1S/C23H31N7/c1-17(2)30-16-27-20-15-26-19(14-21(20)30)13-18-3-8-25-22(28-18)29-11-6-23(7-12-29)4-9-24-10-5-23/h3,8,14-17,24H,4-7,9-13H2,1-2H3
InChIKeyIKQWOANDOKOBFY-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.36
Rot. Bonds4

About 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane

3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 158727264) has the molecular formula C23H31N7 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID158727264
Molecular FormulaC23H31N7
Molecular Weight405.55 g/mol
Exact Mass405.26
IUPAC Name3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCNCC5)CC4)n3)cc21
InChIInChI=1S/C23H31N7/c1-17(2)30-16-27-20-15-26-19(14-21(20)30)13-18-3-8-25-22(28-18)29-11-6-23(7-12-29)4-9-24-10-5-23/h3,8,14-17,24H,4-7,9-13H2,1-2H3
InChIKeyIKQWOANDOKOBFY-UHFFFAOYSA-N
XLogP3.36
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

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
6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
CID 158365267
6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
CID 158605857
6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
CID 159171936
N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
CID 90183817
N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183273
2-[4-[6-[[2-[4-(hydroxymethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]methyl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanamide
CID 147112873
(3aR,7aS)-5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 158933920
tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate
CID 158438567
3-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-2-methylimidazo[4,5-c]pyridin-1-yl]butanenitrile
CID 158330516
N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid
CID 118661932
2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol
CID 117224423

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane (CID 158727264) is 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane is CC(C)n1cnc2cnc(Cc3ccnc(N4CCC5(CCNCC5)CC4)n3)cc21.
What is the InChIKey of 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is IKQWOANDOKOBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7/c1-17(2)30-16-27-20-15-26-19(14-21(20)30)13-18-3-8-25-22(28-18)29-11-6-23(7-12-29)4-9-24-10-5-23/h3,8,14-17,24H,4-7,9-13H2,1-2H3.
What are the key properties of 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane?
3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 405.55 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 158727264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).