1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea

C28H27N7O — CID 162675205

IUPAC1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1
InChIInChI=1S/C28H27N7O/c1-18(2)19-7-10-22(11-8-19)33-28(36)34-24-6-4-5-23(14-24)32-27-25-12-9-20(13-26(25)29-17-30-27)21-15-31-35(3)16-21/h4-18H,1-3H3,(H,29,30,32)(H2,33,34,36)
InChIKeyAUEWHFRAYMYFLU-UHFFFAOYSA-N
MW477.57 g/mol
LogP6.54
Rot. Bonds6

About 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea

1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 162675205) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID162675205
Molecular FormulaC28H27N7O
Molecular Weight477.57 g/mol
Exact Mass477.23
IUPAC Name1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1
InChIInChI=1S/C28H27N7O/c1-18(2)19-7-10-22(11-8-19)33-28(36)34-24-6-4-5-23(14-24)32-27-25-12-9-20(13-26(25)29-17-30-27)21-15-31-35(3)16-21/h4-18H,1-3H3,(H,29,30,32)(H2,33,34,36)
InChIKeyAUEWHFRAYMYFLU-UHFFFAOYSA-N
XLogP6.54
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
CID 127045266
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
1-[4-(2-chloroanilino)quinazolin-7-yl]-3-phenylurea
CID 141452331
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-[3-(4-cyano-1-methylpyrazol-5-yl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 10172387
1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569335
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145
4-amino-N-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 69455826
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea (CID 162675205) is 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1.
What is the InChIKey of 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is AUEWHFRAYMYFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c1-18(2)19-7-10-22(11-8-19)33-28(36)34-24-6-4-5-23(14-24)32-27-25-12-9-20(13-26(25)29-17-30-27)21-15-31-35(3)16-21/h4-18H,1-3H3,(H,29,30,32)(H2,33,34,36).
What are the key properties of 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea?
1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 477.57 g/mol, XLogP of 6.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 162675205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).