4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide

C23H21ClFN7O2 — CID 134178754

IUPAC4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(F)c3ncc(Cl)cc3c2)c1C(N)=O
InChIInChI=1S/C23H21ClFN7O2/c1-11-3-19(26)31-12(2)16(11)8-29-23(34)17-9-30-32(21(17)22(27)33)10-13-4-14-6-15(24)7-28-20(14)18(25)5-13/h3-7,9H,8,10H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34)
InChIKeyPYXFFFNKKGJNLF-UHFFFAOYSA-N
MW481.92 g/mol
LogP2.90
Rot. Bonds6

About 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide

4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide (PubChem CID 134178754) has the molecular formula C23H21ClFN7O2 and a molecular weight of 481.92 g/mol. Its IUPAC name is 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide
PubChem CID134178754
Molecular FormulaC23H21ClFN7O2
Molecular Weight481.92 g/mol
Exact Mass481.14
IUPAC Name4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(F)c3ncc(Cl)cc3c2)c1C(N)=O
InChIInChI=1S/C23H21ClFN7O2/c1-11-3-19(26)31-12(2)16(11)8-29-23(34)17-9-30-32(21(17)22(27)33)10-13-4-14-6-15(24)7-28-20(14)18(25)5-13/h3-7,9H,8,10H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34)
InChIKeyPYXFFFNKKGJNLF-UHFFFAOYSA-N
XLogP2.90
TPSA141.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide 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-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide (CID 134178754) is 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(F)c3ncc(Cl)cc3c2)c1C(N)=O.
What is the InChIKey of 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide?
The InChIKey is PYXFFFNKKGJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O2/c1-11-3-19(26)31-12(2)16(11)8-29-23(34)17-9-30-32(21(17)22(27)33)10-13-4-14-6-15(24)7-28-20(14)18(25)5-13/h3-7,9H,8,10H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34).
What are the key properties of 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide?
4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide has a molecular weight of 481.92 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 134178754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).