4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one

C21H23N5O2 — CID 161391941

IUPAC4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one
SMILESCC(C)n1c(CO)nc2cnc(Cc3ccnc(C4=CCC(=O)CC4)n3)cc21
InChIInChI=1S/C21H23N5O2/c1-13(2)26-19-10-16(23-11-18(19)25-20(26)12-27)9-15-7-8-22-21(24-15)14-3-5-17(28)6-4-14/h3,7-8,10-11,13,27H,4-6,9,12H2,1-2H3
InChIKeyVTCDPFIPCWKMII-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.02
Rot. Bonds5

About 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one

4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one (PubChem CID 161391941) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one
PubChem CID161391941
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one
SMILESCC(C)n1c(CO)nc2cnc(Cc3ccnc(C4=CCC(=O)CC4)n3)cc21
InChIInChI=1S/C21H23N5O2/c1-13(2)26-19-10-16(23-11-18(19)25-20(26)12-27)9-15-7-8-22-21(24-15)14-3-5-17(28)6-4-14/h3,7-8,10-11,13,27H,4-6,9,12H2,1-2H3
InChIKeyVTCDPFIPCWKMII-UHFFFAOYSA-N
XLogP3.02
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 90183661
(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
[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 129271080
2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
CID 146965384
[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 90183617
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
(4S,5R)-5-fluoro-1-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
CID 90184057
N-[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90177684
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
CID 158605857
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-[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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one?
The IUPAC name of 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one (CID 161391941) is 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one.
What is the SMILES notation for 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one?
The canonical SMILES for 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one is CC(C)n1c(CO)nc2cnc(Cc3ccnc(C4=CCC(=O)CC4)n3)cc21.
What is the InChIKey of 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one?
The InChIKey is VTCDPFIPCWKMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(2)26-19-10-16(23-11-18(19)25-20(26)12-27)9-15-7-8-22-21(24-15)14-3-5-17(28)6-4-14/h3,7-8,10-11,13,27H,4-6,9,12H2,1-2H3.
What are the key properties of 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one?
4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one has a molecular weight of 377.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one is sourced from PubChem (CID 161391941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).