3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide

C22H16ClF2N5O2 — CID 59764289

IUPAC3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12
InChIInChI=1S/C22H16ClF2N5O2/c1-12-8-19(22(32)26-10-13-6-7-16(24)17(25)9-13)28-20-14(11-27-30(12)20)21(31)29-18-5-3-2-4-15(18)23/h2-9,11H,10H2,1H3,(H,26,32)(H,29,31)
InChIKeySTOPOYCPXXEJEG-UHFFFAOYSA-N
MW455.85 g/mol
LogP4.15
Rot. Bonds5

About 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide

3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide (PubChem CID 59764289) has the molecular formula C22H16ClF2N5O2 and a molecular weight of 455.85 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide
PubChem CID59764289
Molecular FormulaC22H16ClF2N5O2
Molecular Weight455.85 g/mol
Exact Mass455.10
IUPAC Name3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12
InChIInChI=1S/C22H16ClF2N5O2/c1-12-8-19(22(32)26-10-13-6-7-16(24)17(25)9-13)28-20-14(11-27-30(12)20)21(31)29-18-5-3-2-4-15(18)23/h2-9,11H,10H2,1H3,(H,26,32)(H,29,31)
InChIKeySTOPOYCPXXEJEG-UHFFFAOYSA-N
XLogP4.15
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,7-N-bis(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 59461999
(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 25054036
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-N-(2-chlorophenyl)-5-N-[(3,4,5-trifluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 58916644
(1R)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 25018382
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;(1S)-1-[[3-carbamoyl-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 159542139
5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588719
7-acetyl-3-[2-(2-chlorophenyl)acetyl]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;tert-butyl 2-aminoacetate
CID 159522610
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
2-chloroaniline;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 160744086
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162
tert-butyl (1S)-1-[[3-[2-(2-chlorophenyl)acetyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 146787070

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide (CID 59764289) is 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide is Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.
What is the InChIKey of 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide?
The InChIKey is STOPOYCPXXEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N5O2/c1-12-8-19(22(32)26-10-13-6-7-16(24)17(25)9-13)28-20-14(11-27-30(12)20)21(31)29-18-5-3-2-4-15(18)23/h2-9,11H,10H2,1H3,(H,26,32)(H,29,31).
What are the key properties of 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide?
3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide has a molecular weight of 455.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide is sourced from PubChem (CID 59764289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).