N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C21H17N7O2 — CID 154805044

IUPACN-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnn4c3[nH]c(=O)c3ccccc34)c2)n[nH]1
InChIInChI=1S/C21H17N7O2/c1-11-7-8-13(18-23-12(2)26-27-18)9-16(11)24-21(30)15-10-22-28-17-6-4-3-5-14(17)20(29)25-19(15)28/h3-10H,1-2H3,(H,24,30)(H,25,29)(H,23,26,27)
InChIKeyONAYHVLSTNEHSB-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.83
Rot. Bonds3

About N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 154805044) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID154805044
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnn4c3[nH]c(=O)c3ccccc34)c2)n[nH]1
InChIInChI=1S/C21H17N7O2/c1-11-7-8-13(18-23-12(2)26-27-18)9-16(11)24-21(30)15-10-22-28-17-6-4-3-5-14(17)20(29)25-19(15)28/h3-10H,1-2H3,(H,24,30)(H,25,29)(H,23,26,27)
InChIKeyONAYHVLSTNEHSB-UHFFFAOYSA-N
XLogP2.83
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137049992
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136745040
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136931713
2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
CID 137119720
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166219072
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 154805044) is N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnn4c3[nH]c(=O)c3ccccc34)c2)n[nH]1.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is ONAYHVLSTNEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-11-7-8-13(18-23-12(2)26-27-18)9-16(11)24-21(30)15-10-22-28-17-6-4-3-5-14(17)20(29)25-19(15)28/h3-10H,1-2H3,(H,24,30)(H,25,29)(H,23,26,27).
What are the key properties of N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 154805044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).