6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C20H19N5O4 — CID 90878838

IUPAC6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)N=C(C)C2C(=O)Nc2ccc3[nH]ncc3c2)c(O)c1
InChIInChI=1S/C20H19N5O4/c1-10-17(19(27)23-12-3-6-15-11(7-12)9-21-25-15)18(24-20(28)22-10)14-5-4-13(29-2)8-16(14)26/h3-9,17-18,26H,1-2H3,(H,21,25)(H,23,27)(H,24,28)
InChIKeyGEEMSWDMIZQFLD-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.76
Rot. Bonds4

About 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 90878838) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID90878838
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)N=C(C)C2C(=O)Nc2ccc3[nH]ncc3c2)c(O)c1
InChIInChI=1S/C20H19N5O4/c1-10-17(19(27)23-12-3-6-15-11(7-12)9-21-25-15)18(24-20(28)22-10)14-5-4-13(29-2)8-16(14)26/h3-9,17-18,26H,1-2H3,(H,21,25)(H,23,27)(H,24,28)
InChIKeyGEEMSWDMIZQFLD-UHFFFAOYSA-N
XLogP2.76
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-5-yl)-4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91500375
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
6-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91090625
6-(3,4-difluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91304245
6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91134729
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91135404
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90863970
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91122570
N-(1H-indazol-5-yl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11773316
2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide
CID 91590191
N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91217504

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 90878838) is 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(C2NC(=O)N=C(C)C2C(=O)Nc2ccc3[nH]ncc3c2)c(O)c1.
What is the InChIKey of 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GEEMSWDMIZQFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-10-17(19(27)23-12-3-6-15-11(7-12)9-21-25-15)18(24-20(28)22-10)14-5-4-13(29-2)8-16(14)26/h3-9,17-18,26H,1-2H3,(H,21,25)(H,23,27)(H,24,28).
What are the key properties of 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90878838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).