tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C25H32N6O5 — CID 158090685

About tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 158090685) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 158090685
• Molecular Formula: C25H32N6O5
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.24
• IUPAC Name: tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC[C@@]3(C)O)c2n1
• InChI: InChI=1S/C25H32N6O5/c1-24(2,3)36-23(33)30(5)20-13-19(28-17-8-7-11-26-22(17)35-6)29-21-16(14-27-31(20)21)18(32)12-15-9-10-25(15,4)34/h7-8,11,13-15,34H,9-10,12H2,1-6H3,(H,28,29)/t15?,25-/m1/s1
• InChIKey: NRFJUXJDIGJFBT-FFMAFDDDSA-N
• XLogP: 3.98
• TPSA: 131.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 158090685) is tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC[C@@]3(C)O)c2n1.

What is the InChIKey of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is NRFJUXJDIGJFBT-FFMAFDDDSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-24(2,3)36-23(33)30(5)20-13-19(28-17-8-7-11-26-22(17)35-6)29-21-16(14-27-31(20)21)18(32)12-15-9-10-25(15,4)34/h7-8,11,13-15,34H,9-10,12H2,1-6H3,(H,28,29)/t15?,25-/m1/s1.

What are the key properties of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 496.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 158090685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).