5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H21F2N5O2 — CID 143588719

IUPAC5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3c(C)cnn23)cc1
InChIInChI=1S/C24H21F2N5O2/c1-14-3-5-16(6-4-14)12-28-24(33)21-10-20(30-22-15(2)11-29-31(21)22)23(32)27-13-17-7-8-18(25)19(26)9-17/h3-11H,12-13H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyKDFOJYIQRZIVNJ-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.48
Rot. Bonds6

About 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143588719) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143588719
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3c(C)cnn23)cc1
InChIInChI=1S/C24H21F2N5O2/c1-14-3-5-16(6-4-14)12-28-24(33)21-10-20(30-22-15(2)11-29-31(21)22)23(32)27-13-17-7-8-18(25)19(26)9-17/h3-11H,12-13H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyKDFOJYIQRZIVNJ-UHFFFAOYSA-N
XLogP3.48
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide 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

3-fluoro-7-N-[(3-fluoro-4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91395540
3-N,7-N-bis(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 59461999
2-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetic acid
CID 59462863
7-N-benzyl-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463006
5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 90695501
3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide
CID 59764289
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461363
7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70845653
5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462500
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462030
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143588719) is 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)nc3c(C)cnn23)cc1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is KDFOJYIQRZIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-14-3-5-16(6-4-14)12-28-24(33)21-10-20(30-22-15(2)11-29-31(21)22)23(32)27-13-17-7-8-18(25)19(26)9-17/h3-11H,12-13H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143588719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).