N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide

C21H19N5O3 — CID 53100569

IUPACN-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)c1
InChIInChI=1S/C21H19N5O3/c1-25-13-23-17-18(20(27)22-12-14-7-6-10-16(11-14)29-2)24-26(19(17)21(25)28)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,27)
InChIKeyBWCZGSWGMXQJFS-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.06
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53100569) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53100569
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)c1
InChIInChI=1S/C21H19N5O3/c1-25-13-23-17-18(20(27)22-12-14-7-6-10-16(11-14)29-2)24-26(19(17)21(25)28)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,27)
InChIKeyBWCZGSWGMXQJFS-UHFFFAOYSA-N
XLogP2.06
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100647
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
N-[(3-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369228
3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 20961125
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
4-benzyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005408
6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100637
N-benzyl-2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005705
(2S)-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 95075170
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 53100569) is N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is BWCZGSWGMXQJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25-13-23-17-18(20(27)22-12-14-7-6-10-16(11-14)29-2)24-26(19(17)21(25)28)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53100569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).