N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine

C23H27N9O2S2 — CID 137364180

About N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine

N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 137364180) has the molecular formula C23H27N9O2S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 137364180
• Molecular Formula: C23H27N9O2S2
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.17
• IUPAC Name: N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine
• SMILES: CC(C)n1nc(N2CCSCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
• InChI: InChI=1S/C23H27N9O2S2/c1-15(2)32-19-11-21(25-13-18(19)23(29-32)30-7-9-35-10-8-30)27-20-5-6-24-22(28-20)16-12-26-31(14-16)36(33,34)17-3-4-17/h5-6,11-15,17H,3-4,7-10H2,1-2H3,(H,24,25,27,28)
• InChIKey: PZQVKFOXKKHLHZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 123.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine (CID 137364180) is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine.

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

The canonical SMILES for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine is CC(C)n1nc(N2CCSCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.

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

The InChIKey is PZQVKFOXKKHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2S2/c1-15(2)32-19-11-21(25-13-18(19)23(29-32)30-7-9-35-10-8-30)27-20-5-6-24-22(28-20)16-12-26-31(14-16)36(33,34)17-3-4-17/h5-6,11-15,17H,3-4,7-10H2,1-2H3,(H,24,25,27,28).

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

N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 525.66 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-thiomorpholin-4-ylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 137364180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).