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

C20H19F3N8O3S — CID 118661812

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

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 118661812) 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-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

• Compound Name: [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol
• PubChem CID: 118661812
• 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-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol
• SMILES: C[C@H](n1c(CO)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21)C(F)(F)F
• InChI: InChI=1S/C20H19F3N8O3S/c1-11(20(21,22)23)31-15-6-17(25-8-14(15)27-18(31)10-32)28-16-4-5-24-19(29-16)12-7-26-30(9-12)35(33,34)13-2-3-13/h4-9,11,13,32H,2-3,10H2,1H3,(H,24,25,28,29)/t11-/m0/s1
• InChIKey: UKWNAPMMJDNWFH-NSHDSACASA-N
• XLogP: 2.78
• TPSA: 140.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.49
LogP ≤ 5	2.78
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-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol?

The IUPAC name of [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol (CID 118661812) is [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol?

The canonical SMILES for [6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol is C[C@H](n1c(CO)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21)C(F)(F)F.

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

The InChIKey is UKWNAPMMJDNWFH-NSHDSACASA-N. The full InChI is InChI=1S/C20H19F3N8O3S/c1-11(20(21,22)23)31-15-6-17(25-8-14(15)27-18(31)10-32)28-16-4-5-24-19(29-16)12-7-26-30(9-12)35(33,34)13-2-3-13/h4-9,11,13,32H,2-3,10H2,1H3,(H,24,25,28,29)/t11-/m0/s1.

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

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 508.49 g/mol, XLogP of 2.78, 7 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-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 118661812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).