[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol

C20H19F3N8O3S — CID 90183623

About [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 90183623) has the molecular formula C20H19F3N8O3S and a molecular weight of 508.49 g/mol. Its IUPAC name is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

• Compound Name: [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol
• PubChem CID: 90183623
• Molecular Formula: C20H19F3N8O3S
• Molecular Weight: 508.49 g/mol
• Exact Mass: 508.13
• IUPAC Name: [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol
• SMILES: O=S(=O)(C1CC1)n1cc(-c2nccc(Nc3cc4c(cn3)nc(CO)n4CCC(F)(F)F)n2)cn1
• InChI: InChI=1S/C20H19F3N8O3S/c21-20(22,23)4-6-30-15-7-17(25-9-14(15)27-18(30)11-32)28-16-3-5-24-19(29-16)12-8-26-31(10-12)35(33,34)13-1-2-13/h3,5,7-10,13,32H,1-2,4,6,11H2,(H,24,25,28,29)
• InChIKey: CTWDTXIWDKFIGB-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 140.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.49
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol?

The IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol (CID 90183623) is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol.

What is the SMILES notation for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol?

The canonical SMILES for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol is O=S(=O)(C1CC1)n1cc(-c2nccc(Nc3cc4c(cn3)nc(CO)n4CCC(F)(F)F)n2)cn1.

What is the InChIKey of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol?

The InChIKey is CTWDTXIWDKFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O3S/c21-20(22,23)4-6-30-15-7-17(25-9-14(15)27-18(30)11-32)28-16-3-5-24-19(29-16)12-8-26-31(10-12)35(33,34)13-1-2-13/h3,5,7-10,13,32H,1-2,4,6,11H2,(H,24,25,28,29).

What are the key properties of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol?

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 508.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 90183623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).