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

C26H30N8O4 — CID 146559221

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559221) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146559221
• Molecular Formula: C26H30N8O4
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.24
• IUPAC Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(CC(=O)N3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
• InChI: InChI=1S/C26H30N8O4/c1-27-22-12-20(30-25-17(13-29-34(22)25)26(36)31-19-5-6-21(19)37-2)18-14-33(24-16(18)4-3-7-28-24)15-23(35)32-8-10-38-11-9-32/h3-4,7,12-14,19,21,27H,5-6,8-11,15H2,1-2H3,(H,31,36)/t19-,21-/m1/s1
• InChIKey: QBPGOZUZWRCRFT-TZIWHRDSSA-N
• XLogP: 1.55
• TPSA: 127.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559221) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CC(=O)N3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.

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

The InChIKey is QBPGOZUZWRCRFT-TZIWHRDSSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-27-22-12-20(30-25-17(13-29-34(22)25)26(36)31-19-5-6-21(19)37-2)18-14-33(24-16(18)4-3-7-28-24)15-23(35)32-8-10-38-11-9-32/h3-4,7,12-14,19,21,27H,5-6,8-11,15H2,1-2H3,(H,31,36)/t19-,21-/m1/s1.

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).