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

C23H23N5O2 — CID 91908378

IUPAC4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)c1
InChIInChI=1S/C23H23N5O2/c1-16-14-28-21(22(24-16)27(2)15-17-8-5-4-6-9-17)13-20(26-28)23(29)25-18-10-7-11-19(12-18)30-3/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyPWVLPILSLDSCPK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.94
Rot. Bonds6

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

4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908378) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908378
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)c1
InChIInChI=1S/C23H23N5O2/c1-16-14-28-21(22(24-16)27(2)15-17-8-5-4-6-9-17)13-20(26-28)23(29)25-18-10-7-11-19(12-18)30-3/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyPWVLPILSLDSCPK-UHFFFAOYSA-N
XLogP3.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tak-593
CID 24767976
N-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-B]pyridazin-6-Yl}oxy)phenyl]-1,3-Dimethyl-1h-Pyrazole-5-Carboxamide
CID 57505507
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 24767979
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,5-dimethyl-1h-pyrazole-3-carboxamide
CID 57505514
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 57749112
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
Pyrazole scaffold, 16
CID 25218470
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908378) is 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)c1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PWVLPILSLDSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-14-28-21(22(24-16)27(2)15-17-8-5-4-6-9-17)13-20(26-28)23(29)25-18-10-7-11-19(12-18)30-3/h4-14H,15H2,1-3H3,(H,25,29).
What are the key properties of 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).