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

C24H21N7O3S — CID 149134316

IUPAC[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESO=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4-c3ccccc3)n2)cn1
InChIInChI=1S/C24H21N7O3S/c32-15-23-29-21-13-26-18(11-22(21)31(23)19-4-2-1-3-5-19)10-17-8-9-25-24(28-17)16-12-27-30(14-16)35(33,34)20-6-7-20/h1-5,8-9,11-14,20,32H,6-7,10,15H2
InChIKeyRDTOWIYAQAGXEN-UHFFFAOYSA-N
MW487.55 g/mol
LogP2.50
Rot. Bonds7

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

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 149134316) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID149134316
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC Name[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESO=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4-c3ccccc3)n2)cn1
InChIInChI=1S/C24H21N7O3S/c32-15-23-29-21-13-26-18(11-22(21)31(23)19-4-2-1-3-5-19)10-17-8-9-25-24(28-17)16-12-27-30(14-16)35(33,34)20-6-7-20/h1-5,8-9,11-14,20,32H,6-7,10,15H2
InChIKeyRDTOWIYAQAGXEN-UHFFFAOYSA-N
XLogP2.50
TPSA128.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol (CID 149134316) is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol is O=S(=O)(C1CC1)n1cc(-c2nccc(Cc3cc4c(cn3)nc(CO)n4-c3ccccc3)n2)cn1.
What is the InChIKey of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is RDTOWIYAQAGXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c32-15-23-29-21-13-26-18(11-22(21)31(23)19-4-2-1-3-5-19)10-17-8-9-25-24(28-17)16-12-27-30(14-16)35(33,34)20-6-7-20/h1-5,8-9,11-14,20,32H,6-7,10,15H2.
What are the key properties of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 487.55 g/mol, XLogP of 2.50, 7 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-phenylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 149134316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).