N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C23H25N5O4 — CID 155949338

IUPACN-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C23H25N5O4/c1-5-28-17-9-7-6-8-15(17)20(27-28)21-19(13(2)24-23(30)26-21)22(29)25-16-12-14(31-3)10-11-18(16)32-4/h6-12,21H,5H2,1-4H3,(H,25,29)(H2,24,26,30)
InChIKeyUIADOINILRFJCJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.34
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 155949338) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID155949338
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C23H25N5O4/c1-5-28-17-9-7-6-8-15(17)20(27-28)21-19(13(2)24-23(30)26-21)22(29)25-16-12-14(31-3)10-11-18(16)32-4/h6-12,21H,5H2,1-4H3,(H,25,29)(H2,24,26,30)
InChIKeyUIADOINILRFJCJ-UHFFFAOYSA-N
XLogP3.34
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-N-(2,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158903
(4R)-N-(2,4-dimethoxyphenyl)-4-(2-methoxynaphthalen-1-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1157954
N-(2,5-dimethoxyphenyl)-4-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23968550
(4R)-4-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989849
(4R)-N-(2,5-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158898
4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3476783
(4S)-N-(2,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40840401
(4R)-4-(4-ethylphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715290
(4S)-N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128004
(4R)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989846
(4S)-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1322075
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2909603

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 155949338) is N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCn1nc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c2ccccc21.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is UIADOINILRFJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-5-28-17-9-7-6-8-15(17)20(27-28)21-19(13(2)24-23(30)26-21)22(29)25-16-12-14(31-3)10-11-18(16)32-4/h6-12,21H,5H2,1-4H3,(H,25,29)(H2,24,26,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(1-ethylindazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155949338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).