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

C24H26FN7O3 — CID 146560459

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

5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560459) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560459
• Molecular Formula: C24H26FN7O3
• Molecular Weight: 479.52 g/mol
• Exact Mass: 479.21
• IUPAC Name: 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn([C@H]3CCC[C@H]3F)c3ncccc23)nc2c(C(=O)NC3COCC3O)cnn12
• InChI: InChI=1S/C24H26FN7O3/c1-26-21-8-17(15-10-31(19-6-2-5-16(19)25)22-13(15)4-3-7-27-22)29-23-14(9-28-32(21)23)24(34)30-18-11-35-12-20(18)33/h3-4,7-10,16,18-20,26,33H,2,5-6,11-12H2,1H3,(H,30,34)/t16-,18?,19+,20?/m1/s1
• InChIKey: HIRFTECICDBYPM-OTBHMBEGSA-N
• XLogP: 2.34
• TPSA: 118.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560459) is 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

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

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

The InChIKey is HIRFTECICDBYPM-OTBHMBEGSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-26-21-8-17(15-10-31(19-6-2-5-16(19)25)22-13(15)4-3-7-27-22)29-23-14(9-28-32(21)23)24(34)30-18-11-35-12-20(18)33/h3-4,7-10,16,18-20,26,33H,2,5-6,11-12H2,1H3,(H,30,34)/t16-,18?,19+,20?/m1/s1.

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

5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).