1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol

C26H32ClN7O — CID 157148170

IUPAC1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(C)nn(CC(C)(C)O)c2C)n1
InChIInChI=1S/C26H32ClN7O/c1-16-13-20(7-6-11-28-22-10-12-29-23-14-19(27)8-9-21(22)23)31-25(30-16)32-24-17(2)33-34(18(24)3)15-26(4,5)35/h8-10,12-14,35H,6-7,11,15H2,1-5H3,(H,28,29)(H,30,31,32)
InChIKeyCPWDENGKNPFEQV-UHFFFAOYSA-N
MW494.04 g/mol
LogP5.36
Rot. Bonds9

About 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 157148170) has the molecular formula C26H32ClN7O and a molecular weight of 494.04 g/mol. Its IUPAC name is 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID157148170
Molecular FormulaC26H32ClN7O
Molecular Weight494.04 g/mol
Exact Mass493.24
IUPAC Name1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(C)nn(CC(C)(C)O)c2C)n1
InChIInChI=1S/C26H32ClN7O/c1-16-13-20(7-6-11-28-22-10-12-29-23-14-19(27)8-9-21(22)23)31-25(30-16)32-24-17(2)33-34(18(24)3)15-26(4,5)35/h8-10,12-14,35H,6-7,11,15H2,1-5H3,(H,28,29)(H,30,31,32)
InChIKeyCPWDENGKNPFEQV-UHFFFAOYSA-N
XLogP5.36
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol 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

7-chloro-N-[5-[2-(hexylamino)-6-methylpyrimidin-4-yl]pentyl]quinolin-4-amine
CID 162259942
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
[4-[[2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-6-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 155807481
bis(7-chloro-N-[5-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);tris(7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine);bis(2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 159199355
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
CID 70870191
CID 70870191
7-chloro-N-[5-[4-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-yl]pentyl]quinolin-4-amine
CID 148561208

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol (CID 157148170) is 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol is Cc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(C)nn(CC(C)(C)O)c2C)n1.
What is the InChIKey of 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is CPWDENGKNPFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O/c1-16-13-20(7-6-11-28-22-10-12-29-23-14-19(27)8-9-21(22)23)31-25(30-16)32-24-17(2)33-34(18(24)3)15-26(4,5)35/h8-10,12-14,35H,6-7,11,15H2,1-5H3,(H,28,29)(H,30,31,32).
What are the key properties of 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 494.04 g/mol, XLogP of 5.36, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 157148170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).