5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H25N7O2 — CID 162686185

IUPAC5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3nc(N(C)CC4=CCCC=C4)cc(-c4cn[nH]c4)n3n2)c1
InChIInChI=1S/C25H25N7O2/c1-31(16-17-7-4-3-5-8-17)23-13-22(18-14-26-27-15-18)32-24(29-23)12-21(30-32)25(33)28-19-9-6-10-20(11-19)34-2/h4,6-15H,3,5,16H2,1-2H3,(H,26,27)(H,28,33)
InChIKeyJAICGQPEBHJMSQ-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.09
Rot. Bonds7

About 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686185) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686185
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3nc(N(C)CC4=CCCC=C4)cc(-c4cn[nH]c4)n3n2)c1
InChIInChI=1S/C25H25N7O2/c1-31(16-17-7-4-3-5-8-17)23-13-22(18-14-26-27-15-18)32-24(29-23)12-21(30-32)25(33)28-19-9-6-10-20(11-19)34-2/h4,6-15H,3,5,16H2,1-2H3,(H,26,27)(H,28,33)
InChIKeyJAICGQPEBHJMSQ-UHFFFAOYSA-N
XLogP4.09
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686023
5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686105
5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686089
5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686151
7-(4-fluorophenyl)-N-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4865193
N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686043
2-[(4-chloroanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 166964289
3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686149
N-benzyl-N-methyl-7-(1H-pyrazol-4-yl)-2-[[3-(trifluoromethyl)anilino]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 166964438
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686185) is 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(NC(=O)c2cc3nc(N(C)CC4=CCCC=C4)cc(-c4cn[nH]c4)n3n2)c1.
What is the InChIKey of 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JAICGQPEBHJMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-31(16-17-7-4-3-5-8-17)23-13-22(18-14-26-27-15-18)32-24(29-23)12-21(30-32)25(33)28-19-9-6-10-20(11-19)34-2/h4,6-15H,3,5,16H2,1-2H3,(H,26,27)(H,28,33).
What are the key properties of 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).