tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate

C28H31N5O3 — CID 170092352

IUPACtert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)CNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C28H31N5O3/c1-19(18-30-27(35)36-28(2,3)4)17-29-26(34)23-16-25-31-22(20-11-7-5-8-12-20)15-24(33(25)32-23)21-13-9-6-10-14-21/h5-16,19H,17-18H2,1-4H3,(H,29,34)(H,30,35)
InChIKeyDUYQWVJKJSHAOW-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.95
Rot. Bonds7

About tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate

tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate (PubChem CID 170092352) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
PubChem CID170092352
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Nametert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)CNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C28H31N5O3/c1-19(18-30-27(35)36-28(2,3)4)17-29-26(34)23-16-25-31-22(20-11-7-5-8-12-20)15-24(33(25)32-23)21-13-9-6-10-14-21/h5-16,19H,17-18H2,1-4H3,(H,29,34)(H,30,35)
InChIKeyDUYQWVJKJSHAOW-UHFFFAOYSA-N
XLogP4.95
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate (CID 170092352) is tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate is CC(CNC(=O)OC(C)(C)C)CNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate?
The InChIKey is DUYQWVJKJSHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-19(18-30-27(35)36-28(2,3)4)17-29-26(34)23-16-25-31-22(20-11-7-5-8-12-20)15-24(33(25)32-23)21-13-9-6-10-14-21/h5-16,19H,17-18H2,1-4H3,(H,29,34)(H,30,35).
What are the key properties of tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate?
tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate has a molecular weight of 485.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate is sourced from PubChem (CID 170092352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).