4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine

C24H30ClF2N7O — CID 166101832

IUPAC4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCN(C)C1CCN(CCOc2ccccc2Cc2cn(C(F)F)nc2-c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C24H30ClF2N7O/c1-32(2)18-7-9-33(10-8-18)11-12-35-20-6-4-3-5-16(20)13-17-15-34(23(26)27)31-22(17)19-14-21(25)30-24(28)29-19/h3-6,14-15,18,23H,7-13H2,1-2H3,(H2,28,29,30)
InChIKeyQSYFCEQPHJQOCY-UHFFFAOYSA-N
MW506.00 g/mol
LogP3.97
Rot. Bonds9

About 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101832) has the molecular formula C24H30ClF2N7O and a molecular weight of 506.00 g/mol. Its IUPAC name is 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101832
Molecular FormulaC24H30ClF2N7O
Molecular Weight506.00 g/mol
Exact Mass505.22
IUPAC Name4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCN(C)C1CCN(CCOc2ccccc2Cc2cn(C(F)F)nc2-c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C24H30ClF2N7O/c1-32(2)18-7-9-33(10-8-18)11-12-35-20-6-4-3-5-16(20)13-17-15-34(23(26)27)31-22(17)19-14-21(25)30-24(28)29-19/h3-6,14-15,18,23H,7-13H2,1-2H3,(H2,28,29,30)
InChIKeyQSYFCEQPHJQOCY-UHFFFAOYSA-N
XLogP3.97
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.00
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine 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 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine (CID 166101832) is 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine is CN(C)C1CCN(CCOc2ccccc2Cc2cn(C(F)F)nc2-c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is QSYFCEQPHJQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF2N7O/c1-32(2)18-7-9-33(10-8-18)11-12-35-20-6-4-3-5-16(20)13-17-15-34(23(26)27)31-22(17)19-14-21(25)30-24(28)29-19/h3-6,14-15,18,23H,7-13H2,1-2H3,(H2,28,29,30).
What are the key properties of 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 506.00 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(difluoromethyl)-4-[[2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).