N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H28N6O4 — CID 146559270

About N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559270) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146559270
• Molecular Formula: C25H28N6O4
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.22
• IUPAC Name: N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ccccc23)nc2c(C(=O)NC3CCC3O)cnn12
• InChI: InChI=1S/C25H28N6O4/c1-26-23-9-18(28-24-15(10-27-31(23)24)25(33)29-17-7-8-21(17)32)16-11-30(19-6-4-3-5-14(16)19)20-12-35-13-22(20)34-2/h3-6,9-11,17,20-22,26,32H,7-8,12-13H2,1-2H3,(H,29,33)/t17?,20-,21?,22-/m0/s1
• InChIKey: VXRQLOMJWPUOSK-DZPQHKDMSA-N
• XLogP: 2.23
• TPSA: 114.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559270) is N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ccccc23)nc2c(C(=O)NC3CCC3O)cnn12.

What is the InChIKey of N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VXRQLOMJWPUOSK-DZPQHKDMSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-26-23-9-18(28-24-15(10-27-31(23)24)25(33)29-17-7-8-21(17)32)16-11-30(19-6-4-3-5-14(16)19)20-12-35-13-22(20)34-2/h3-6,9-11,17,20-22,26,32H,7-8,12-13H2,1-2H3,(H,29,33)/t17?,20-,21?,22-/m0/s1.

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

N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxycyclobutyl)-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]indol-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).