4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

C20H17N5O2 — CID 71601787

IUPAC4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-6-4-3-5-7-15)24-18(17)19(22-13)23-20(26)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H,21,22,23,26)
InChIKeyYIYCMRYEOUXQND-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.38
Rot. Bonds4

About 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (PubChem CID 71601787) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
PubChem CID71601787
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-6-4-3-5-7-15)24-18(17)19(22-13)23-20(26)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H,21,22,23,26)
InChIKeyYIYCMRYEOUXQND-UHFFFAOYSA-N
XLogP3.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tak-593
CID 24767976
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
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-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
US11866405, Example 22
CID 163396268
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
GSK3 Inhibitor, 2
CID 70701949
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-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (CID 71601787) is 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The InChIKey is YIYCMRYEOUXQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-6-4-3-5-7-15)24-18(17)19(22-13)23-20(26)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H,21,22,23,26).
What are the key properties of 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 71601787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).