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

C23H25N7O4 — CID 146560438

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

N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560438) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560438
• Molecular Formula: C23H25N7O4
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.20
• IUPAC Name: N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3COCC3O)cnn12
• InChI: InChI=1S/C23H25N7O4/c1-24-20-7-17(16-9-29(13-4-6-33-10-13)21-14(16)3-2-5-25-21)27-22-15(8-26-30(20)22)23(32)28-18-11-34-12-19(18)31/h2-3,5,7-9,13,18-19,24,31H,4,6,10-12H2,1H3,(H,28,32)/t13-,18?,19?/m0/s1
• InChIKey: FCEXRVZUNBOKOX-MDAWKPQNSA-N
• XLogP: 1.24
• TPSA: 127.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560438) is N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3COCC3O)cnn12.

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

The InChIKey is FCEXRVZUNBOKOX-MDAWKPQNSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-24-20-7-17(16-9-29(13-4-6-33-10-13)21-14(16)3-2-5-25-21)27-22-15(8-26-30(20)22)23(32)28-18-11-34-12-19(18)31/h2-3,5,7-9,13,18-19,24,31H,4,6,10-12H2,1H3,(H,28,32)/t13-,18?,19?/m0/s1.

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

N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).