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

C23H26FN7O2 — CID 146383418

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

5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383418) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383418
• Molecular Formula: C23H26FN7O2
• Molecular Weight: 451.51 g/mol
• Exact Mass: 451.21
• IUPAC Name: 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C(C)C)c3ncc(F)cc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
• InChI: InChI=1S/C23H26FN7O2/c1-12(2)30-11-16(14-7-13(24)9-26-21(14)30)18-8-20(25-3)31-22(28-18)15(10-27-31)23(32)29-17-5-6-19(17)33-4/h7-12,17,19,25H,5-6H2,1-4H3,(H,29,32)/t17-,19-/m1/s1
• InChIKey: WWZWPVIRRUQNEC-IEBWSBKVSA-N
• XLogP: 3.41
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.51
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383418) is 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(F)cc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.

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

The InChIKey is WWZWPVIRRUQNEC-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-12(2)30-11-16(14-7-13(24)9-26-21(14)30)18-8-20(25-3)31-22(28-18)15(10-27-31)23(32)29-17-5-6-19(17)33-4/h7-12,17,19,25H,5-6H2,1-4H3,(H,29,32)/t17-,19-/m1/s1.

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

5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).