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

C23H27N7O — CID 157107243

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

7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157107243) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157107243
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-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)N[C@H]3CC[C@@H]3C)cnn12
• InChI: InChI=1S/C23H27N7O/c1-13(2)29-12-17(15-6-5-9-25-21(15)29)19-10-20(24-4)30-22(27-19)16(11-26-30)23(31)28-18-8-7-14(18)3/h5-6,9-14,18,24H,7-8H2,1-4H3,(H,28,31)/t14-,18-/m0/s1
• InChIKey: NMGDLFNETHOVRP-KSSFIOAISA-N
• XLogP: 3.90
• TPSA: 89.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157107243) is 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-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)N[C@H]3CC[C@@H]3C)cnn12.

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

The InChIKey is NMGDLFNETHOVRP-KSSFIOAISA-N. The full InChI is InChI=1S/C23H27N7O/c1-13(2)29-12-17(15-6-5-9-25-21(15)29)19-10-20(24-4)30-22(27-19)16(11-26-30)23(31)28-18-8-7-14(18)3/h5-6,9-14,18,24H,7-8H2,1-4H3,(H,28,31)/t14-,18-/m0/s1.

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

7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methylamino)-N-[(1S,2S)-2-methylcyclobutyl]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157107243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).