N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N5O3 — CID 155925012

IUPACN-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(Nc2cccc(C)c2)[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C22H21N5O3/c1-13-7-6-8-15(11-13)24-20-19(21-23-14(2)12-18(28)27(21)26-20)22(29)25-16-9-4-5-10-17(16)30-3/h4-12,24,26H,1-3H3,(H,25,29)
InChIKeyHGELYVNVNXDUSX-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.64
Rot. Bonds5

About N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155925012) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155925012
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(Nc2cccc(C)c2)[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C22H21N5O3/c1-13-7-6-8-15(11-13)24-20-19(21-23-14(2)12-18(28)27(21)26-20)22(29)25-16-9-4-5-10-17(16)30-3/h4-12,24,26H,1-3H3,(H,25,29)
InChIKeyHGELYVNVNXDUSX-UHFFFAOYSA-N
XLogP3.64
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-anilino-N-(1,3-benzothiazol-2-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46935216
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
6-N-(2-methoxyphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100195
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155925012) is N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1NC(=O)c1c(Nc2cccc(C)c2)[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HGELYVNVNXDUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-7-6-8-15(11-13)24-20-19(21-23-14(2)12-18(28)27(21)26-20)22(29)25-16-9-4-5-10-17(16)30-3/h4-12,24,26H,1-3H3,(H,25,29).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-2-(3-methylanilino)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155925012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).