4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

C23H21F2N5O — CID 91908402

IUPAC4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cc(F)cc(F)c3)cc2c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H21F2N5O/c1-15-13-30-21(22(27-15)29(2)14-16-6-4-3-5-7-16)11-20(28-30)23(31)26-12-17-8-18(24)10-19(25)9-17/h3-11,13H,12,14H2,1-2H3,(H,26,31)
InChIKeyLDWGSVGMYCBFTP-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.88
Rot. Bonds6

About 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908402) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908402
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cc(F)cc(F)c3)cc2c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H21F2N5O/c1-15-13-30-21(22(27-15)29(2)14-16-6-4-3-5-7-16)11-20(28-30)23(31)26-12-17-8-18(24)10-19(25)9-17/h3-11,13H,12,14H2,1-2H3,(H,26,31)
InChIKeyLDWGSVGMYCBFTP-UHFFFAOYSA-N
XLogP3.88
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[benzyl(methyl)amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91908395
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 42594163
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308800
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 62703512
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
CID 67286873

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908402) is 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3cc(F)cc(F)c3)cc2c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is LDWGSVGMYCBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-15-13-30-21(22(27-15)29(2)14-16-6-4-3-5-7-16)11-20(28-30)23(31)26-12-17-8-18(24)10-19(25)9-17/h3-11,13H,12,14H2,1-2H3,(H,26,31).
What are the key properties of 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).