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

C25H29N7O4 — CID 146560023

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

N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560023) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560023
• Molecular Formula: C25H29N7O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.23
• IUPAC Name: N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cnc3n(C4CCOC[C@@H]4OC)cccc2-3)nc2c(C(=O)NC3CCC3O)cnn12
• InChI: InChI=1S/C25H29N7O4/c1-26-22-10-18(29-24-16(12-28-32(22)24)25(34)30-17-5-6-20(17)33)15-11-27-23-14(15)4-3-8-31(23)19-7-9-36-13-21(19)35-2/h3-4,8,10-12,17,19-21,26,33H,5-7,9,13H2,1-2H3,(H,30,34)/t17?,19?,20?,21-/m0/s1
• InChIKey: BIWWQNGHGHVSTC-SLQSYFLNSA-N
• XLogP: 1.97
• TPSA: 127.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560023) is N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3n(C4CCOC[C@@H]4OC)cccc2-3)nc2c(C(=O)NC3CCC3O)cnn12.

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

The InChIKey is BIWWQNGHGHVSTC-SLQSYFLNSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-26-22-10-18(29-24-16(12-28-32(22)24)25(34)30-17-5-6-20(17)33)15-11-27-23-14(15)4-3-8-31(23)19-7-9-36-13-21(19)35-2/h3-4,8,10-12,17,19-21,26,33H,5-7,9,13H2,1-2H3,(H,30,34)/t17?,19?,20?,21-/m0/s1.

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

N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxycyclobutyl)-5-[7-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).