N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C20H18N6O3 — CID 135551580

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C20H18N6O3/c1-10-8-16(26(25-10)20-22-12(3)11(2)18(28)24-20)23-19(29)17(27)14-9-21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyTVCIAKPMUULWOR-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 135551580) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID135551580
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C20H18N6O3/c1-10-8-16(26(25-10)20-22-12(3)11(2)18(28)24-20)23-19(29)17(27)14-9-21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyTVCIAKPMUULWOR-UHFFFAOYSA-N
XLogP2.18
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-2-oxoacetamide
CID 135880901
2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 25281580
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551467
2,5-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551527
N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 135954184
2,4-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551526
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
CID 136641348
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 135551553
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-iodobenzamide
CID 136614970
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 135949176
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 74801827
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 24572043

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 135551580) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(C)c(C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is TVCIAKPMUULWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-10-8-16(26(25-10)20-22-12(3)11(2)18(28)24-20)23-19(29)17(27)14-9-21-15-7-5-4-6-13(14)15/h4-9,21H,1-3H3,(H,23,29)(H,22,24,28).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 390.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 135551580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).