[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol

C26H25N7O3S — CID 159093417

IUPAC[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol
SMILESO=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4CCc3ccccc3)n2)cn1
InChIInChI=1S/C26H25N7O3S/c34-17-25-31-23-15-28-21(13-24(23)32(25)11-9-18-4-2-1-3-5-18)12-20-8-10-27-26(30-20)19-14-29-33(16-19)37(35,36)22-6-7-22/h1-5,8,10,13-16,22,34H,6-7,9,11-12,17H2
InChIKeyKCIWXZBIXWESDP-UHFFFAOYSA-N
MW515.60 g/mol
LogP2.75
Rot. Bonds9

About [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 159093417) has the molecular formula C26H25N7O3S and a molecular weight of 515.60 g/mol. Its IUPAC name is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID159093417
Molecular FormulaC26H25N7O3S
Molecular Weight515.60 g/mol
Exact Mass515.17
IUPAC Name[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol
SMILESO=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4CCc3ccccc3)n2)cn1
InChIInChI=1S/C26H25N7O3S/c34-17-25-31-23-15-28-21(13-24(23)32(25)11-9-18-4-2-1-3-5-18)12-20-8-10-27-26(30-20)19-14-29-33(16-19)37(35,36)22-6-7-22/h1-5,8,10,13-16,22,34H,6-7,9,11-12,17H2
InChIKeyKCIWXZBIXWESDP-UHFFFAOYSA-N
XLogP2.75
TPSA128.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol
CID 149134316
(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid
CID 130234511
(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
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-yl]-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-[2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-6-yl]amino]methanol
CID 118661682
[1-[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-pyridinyl]pyrrolidin-3-yl]methanol
CID 167427028
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]methanone
CID 167425452
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45209652
4-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(hydroxymethyl)cyclohexan-1-ol
CID 167425718
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine
CID 137364176
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]methanone
CID 175860158
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone
CID 167425585

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol (CID 159093417) is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol is O=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4CCc3ccccc3)n2)cn1.
What is the InChIKey of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is KCIWXZBIXWESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3S/c34-17-25-31-23-15-28-21(13-24(23)32(25)11-9-18-4-2-1-3-5-18)12-20-8-10-27-26(30-20)19-14-29-33(16-19)37(35,36)22-6-7-22/h1-5,8,10,13-16,22,34H,6-7,9,11-12,17H2.
What are the key properties of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 515.60 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 159093417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).