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

C21H23N7O2 — CID 146569673

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

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146569673) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146569673
• Molecular Formula: C21H23N7O2
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.19
• IUPAC Name: N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
• InChI: InChI=1S/C21H23N7O2/c1-22-18-9-16(14-11-27(2)19-12(14)5-4-8-23-19)25-20-13(10-24-28(18)20)21(29)26-15-6-7-17(15)30-3/h4-5,8-11,15,17,22H,6-7H2,1-3H3,(H,26,29)/t15?,17-/m0/s1
• InChIKey: LOZYQLXVNDWKPB-LWKPJOBUSA-N
• XLogP: 2.23
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569673) is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.

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

The InChIKey is LOZYQLXVNDWKPB-LWKPJOBUSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-22-18-9-16(14-11-27(2)19-12(14)5-4-8-23-19)25-20-13(10-24-28(18)20)21(29)26-15-6-7-17(15)30-3/h4-5,8-11,15,17,22H,6-7H2,1-3H3,(H,26,29)/t15?,17-/m0/s1.

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

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146569673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).