[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

C24H26ClF2N5O2 — CID 118522433

IUPAC[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3
InChIKeyFUXYEPRDUZPSCX-UHFFFAOYSA-N
MW489.95 g/mol
LogP4.54
Rot. Bonds6

About [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 118522433) has the molecular formula C24H26ClF2N5O2 and a molecular weight of 489.95 g/mol. Its IUPAC name is [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID118522433
Molecular FormulaC24H26ClF2N5O2
Molecular Weight489.95 g/mol
Exact Mass489.17
IUPAC Name[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3
InChIKeyFUXYEPRDUZPSCX-UHFFFAOYSA-N
XLogP4.54
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone 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-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 118522433) is [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1.
What is the InChIKey of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is FUXYEPRDUZPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3.
What are the key properties of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 489.95 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 118522433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).