N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N7O3 — CID 146560243

About N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560243) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560243
• Molecular Formula: C23H27N7O3
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.22
• IUPAC Name: N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3COC[C@]3(C)O)cnn12
• InChI: InChI=1S/C23H27N7O3/c1-13(2)29-10-16(14-6-5-7-25-20(14)29)17-8-19(24-4)30-21(27-17)15(9-26-30)22(31)28-18-11-33-12-23(18,3)32/h5-10,13,18,24,32H,11-12H2,1-4H3,(H,28,31)/t18?,23-/m0/s1
• InChIKey: JQSGSIBKKZVWFK-IMMUGOHXSA-N
• XLogP: 2.25
• TPSA: 118.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560243) is N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3COC[C@]3(C)O)cnn12.

What is the InChIKey of N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JQSGSIBKKZVWFK-IMMUGOHXSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-13(2)29-10-16(14-6-5-7-25-20(14)29)17-8-19(24-4)30-21(27-17)15(9-26-30)22(31)28-18-11-33-12-23(18,3)32/h5-10,13,18,24,32H,11-12H2,1-4H3,(H,28,31)/t18?,23-/m0/s1.

What are the key properties of N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-hydroxy-4-methyloxolan-3-yl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).