[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

C20H22N8OS — CID 129271080

IUPAC[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCC(C)n1c(CO)nc2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21
InChIInChI=1S/C20H22N8OS/c1-12(2)28-16-7-18(22-9-15(16)24-19(28)11-29)25-17-5-6-21-20(26-17)13-8-23-27(10-13)30-14-3-4-14/h5-10,12,14,29H,3-4,11H2,1-2H3,(H,21,22,25,26)
InChIKeyFZDLMWLKXFDIQQ-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.56
Rot. Bonds7

About [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 129271080) has the molecular formula C20H22N8OS and a molecular weight of 422.52 g/mol. Its IUPAC name is [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID129271080
Molecular FormulaC20H22N8OS
Molecular Weight422.52 g/mol
Exact Mass422.16
IUPAC Name[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCC(C)n1c(CO)nc2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21
InChIInChI=1S/C20H22N8OS/c1-12(2)28-16-7-18(22-9-15(16)24-19(28)11-29)25-17-5-6-21-20(26-17)13-8-23-27(10-13)30-14-3-4-14/h5-10,12,14,29H,3-4,11H2,1-2H3,(H,21,22,25,26)
InChIKeyFZDLMWLKXFDIQQ-UHFFFAOYSA-N
XLogP3.56
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol with MolForge

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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
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine
CID 118661758
N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 118662262
2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
CID 90183659
4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
CID 130257316
2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
CID 90183463
1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
CID 90183698
[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
(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
1-[1-butan-2-yl-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 123927459
(1R)-1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-yl]ethanol
CID 118661660
1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-yl]ethanol
CID 134238490

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (CID 129271080) is [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is CC(C)n1c(CO)nc2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21.
What is the InChIKey of [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is FZDLMWLKXFDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8OS/c1-12(2)28-16-7-18(22-9-15(16)24-19(28)11-29)25-17-5-6-21-20(26-17)13-8-23-27(10-13)30-14-3-4-14/h5-10,12,14,29H,3-4,11H2,1-2H3,(H,21,22,25,26).
What are the key properties of [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 422.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 129271080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).