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

C23H25N7O2 — CID 167644010

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

5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167644010) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167644010
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C3CC(O)C3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12
• InChI: InChI=1S/C23H25N7O2/c1-12-6-18(12)28-23(32)16-10-26-30-20(24-2)9-19(27-22(16)30)17-11-29(13-7-14(31)8-13)21-15(17)4-3-5-25-21/h3-5,9-14,18,24,31H,6-8H2,1-2H3,(H,28,32)/t12-,13?,14?,18+/m0/s1
• InChIKey: QTQUZMRQNVTBOE-SEBUGHOLSA-N
• XLogP: 2.62
• TPSA: 109.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167644010) is 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CC(O)C3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12.

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

The InChIKey is QTQUZMRQNVTBOE-SEBUGHOLSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-12-6-18(12)28-23(32)16-10-26-30-20(24-2)9-19(27-22(16)30)17-11-29(13-7-14(31)8-13)21-15(17)4-3-5-25-21/h3-5,9-14,18,24,31H,6-8H2,1-2H3,(H,28,32)/t12-,13?,14?,18+/m0/s1.

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

5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167644010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).