[1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol

C24H29N9O3S — CID 122509924

About [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol

[1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol (PubChem CID 122509924) has the molecular formula C24H29N9O3S and a molecular weight of 523.62 g/mol. Its IUPAC name is [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol
• PubChem CID: 122509924
• Molecular Formula: C24H29N9O3S
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.21
• IUPAC Name: [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol
• SMILES: CC(C)n1nc(N2CCC(CO)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
• InChI: InChI=1S/C24H29N9O3S/c1-15(2)33-20-9-22(26-11-19(20)24(30-33)31-8-6-16(12-31)14-34)28-21-5-7-25-23(29-21)17-10-27-32(13-17)37(35,36)18-3-4-18/h5,7,9-11,13,15-16,18,34H,3-4,6,8,12,14H2,1-2H3,(H,25,26,28,29)
• InChIKey: HSEFXHGBQMNBHB-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 143.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol (CID 122509924) is [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol.

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

The canonical SMILES for [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol is CC(C)n1nc(N2CCC(CO)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.

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

The InChIKey is HSEFXHGBQMNBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O3S/c1-15(2)33-20-9-22(26-11-19(20)24(30-33)31-8-6-16(12-31)14-34)28-21-5-7-25-23(29-21)17-10-27-32(13-17)37(35,36)18-3-4-18/h5,7,9-11,13,15-16,18,34H,3-4,6,8,12,14H2,1-2H3,(H,25,26,28,29).

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

[1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol has a molecular weight of 523.62 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 122509924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).