5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25N7O3 — CID 167683831

About 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167683831) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167683831
• Molecular Formula: C23H25N7O3
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cnc3n([C@@H]4COC[C@H]4O)cccc2-3)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12
• InChI: InChI=1S/C23H25N7O3/c1-12-6-16(12)28-23(32)15-9-26-30-20(24-2)7-17(27-22(15)30)14-8-25-21-13(14)4-3-5-29(21)18-10-33-11-19(18)31/h3-5,7-9,12,16,18-19,24,31H,6,10-11H2,1-2H3,(H,28,32)/t12-,16+,18+,19+/m0/s1
• InChIKey: XRTMRHHABCCYKQ-ZLKDORHNSA-N
• XLogP: 1.81
• 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	447.50
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167683831) is 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3n([C@@H]4COC[C@H]4O)cccc2-3)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12.

What is the InChIKey of 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XRTMRHHABCCYKQ-ZLKDORHNSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-12-6-16(12)28-23(32)15-9-26-30-20(24-2)7-17(27-22(15)30)14-8-25-21-13(14)4-3-5-29(21)18-10-33-11-19(18)31/h3-5,7-9,12,16,18-19,24,31H,6,10-11H2,1-2H3,(H,28,32)/t12-,16+,18+,19+/m0/s1.

What are the key properties of 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167683831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).