N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide

C27H22N6O — CID 25070810

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N6O/c34-26(30-24-16-23(32-33-24)17-10-11-17)19-12-14-20(15-13-19)28-27-29-22-9-5-4-8-21(22)25(31-27)18-6-2-1-3-7-18/h1-9,12-17H,10-11H2,(H,28,29,31)(H2,30,32,33,34)
InChIKeyPSDMJHWSZKFBJG-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.89
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide (PubChem CID 25070810) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
PubChem CID25070810
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N6O/c34-26(30-24-16-23(32-33-24)17-10-11-17)19-12-14-20(15-13-19)28-27-29-22-9-5-4-8-21(22)25(31-27)18-6-2-1-3-7-18/h1-9,12-17H,10-11H2,(H,28,29,31)(H2,30,32,33,34)
InChIKeyPSDMJHWSZKFBJG-UHFFFAOYSA-N
XLogP5.89
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
CID 177020193
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 47078487
N-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;molecular hydrogen
CID 145476375
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
CID 10178929
N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide
CID 136543495
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221
N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
CID 174721292

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide (CID 25070810) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The InChIKey is PSDMJHWSZKFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c34-26(30-24-16-23(32-33-24)17-10-11-17)19-12-14-20(15-13-19)28-27-29-22-9-5-4-8-21(22)25(31-27)18-6-2-1-3-7-18/h1-9,12-17H,10-11H2,(H,28,29,31)(H2,30,32,33,34).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide has a molecular weight of 446.51 g/mol, XLogP of 5.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 25070810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).