N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

C26H27N5O2 — CID 110239191

IUPACN-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NC(c3cc(=O)n4[nH]c(-c5ccccn5)cc4n3)C(C)C)CC2)cc1
InChIInChI=1S/C26H27N5O2/c1-16(2)24(29-25(33)26(11-12-26)18-9-7-17(3)8-10-18)21-15-23(32)31-22(28-21)14-20(30-31)19-6-4-5-13-27-19/h4-10,13-16,24,30H,11-12H2,1-3H3,(H,29,33)
InChIKeyVEPWOHSHMCHASF-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.94
Rot. Bonds6

About N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 110239191) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID110239191
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NC(c3cc(=O)n4[nH]c(-c5ccccn5)cc4n3)C(C)C)CC2)cc1
InChIInChI=1S/C26H27N5O2/c1-16(2)24(29-25(33)26(11-12-26)18-9-7-17(3)8-10-18)21-15-23(32)31-22(28-21)14-20(30-31)19-6-4-5-13-27-19/h4-10,13-16,24,30H,11-12H2,1-3H3,(H,29,33)
InChIKeyVEPWOHSHMCHASF-UHFFFAOYSA-N
XLogP3.94
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide 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 N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 110239191) is N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)NC(c3cc(=O)n4[nH]c(-c5ccccn5)cc4n3)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VEPWOHSHMCHASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16(2)24(29-25(33)26(11-12-26)18-9-7-17(3)8-10-18)21-15-23(32)31-22(28-21)14-20(30-31)19-6-4-5-13-27-19/h4-10,13-16,24,30H,11-12H2,1-3H3,(H,29,33).
What are the key properties of N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110239191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).