N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H35N9O2 — CID 137441484

About N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441484) has the molecular formula C27H35N9O2 and a molecular weight of 517.64 g/mol. Its IUPAC name is N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441484
• Molecular Formula: C27H35N9O2
• Molecular Weight: 517.64 g/mol
• Exact Mass: 517.29
• IUPAC Name: N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)NC3CCC3OC)cnn12
• InChI: InChI=1S/C27H35N9O2/c1-28-24-15-22(31-26-19(16-30-36(24)26)27(37)32-21-6-7-23(21)38-3)20-17-35(25-18(20)5-4-8-29-25)14-13-34-11-9-33(2)10-12-34/h4-5,8,15-17,21,23,28H,6-7,9-14H2,1-3H3,(H,32,37)
• InChIKey: GCRNXRUWVMXWGS-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 104.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.64
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441484) is N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)NC3CCC3OC)cnn12.

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

The InChIKey is GCRNXRUWVMXWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9O2/c1-28-24-15-22(31-26-19(16-30-36(24)26)27(37)32-21-6-7-23(21)38-3)20-17-35(25-18(20)5-4-8-29-25)14-13-34-11-9-33(2)10-12-34/h4-5,8,15-17,21,23,28H,6-7,9-14H2,1-3H3,(H,32,37).

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

N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.64 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxycyclobutyl)-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).