4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C18H17N5O2 — CID 137049137

IUPAC4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3c4ccccc4CC3C)n2)n1
InChIInChI=1S/C18H17N5O2/c1-11-9-16(24)20-18(19-11)22-8-7-14(21-22)17(25)23-12(2)10-13-5-3-4-6-15(13)23/h3-9,12H,10H2,1-2H3,(H,19,20,24)
InChIKeyZTHQGONJXBLVPJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049137) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049137
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3c4ccccc4CC3C)n2)n1
InChIInChI=1S/C18H17N5O2/c1-11-9-16(24)20-18(19-11)22-8-7-14(21-22)17(25)23-12(2)10-13-5-3-4-6-15(13)23/h3-9,12H,10H2,1-2H3,(H,19,20,24)
InChIKeyZTHQGONJXBLVPJ-UHFFFAOYSA-N
XLogP1.86
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049137) is 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ccc(C(=O)N3c4ccccc4CC3C)n2)n1.
What is the InChIKey of 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZTHQGONJXBLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-9-16(24)20-18(19-11)22-8-7-14(21-22)17(25)23-12(2)10-13-5-3-4-6-15(13)23/h3-9,12H,10H2,1-2H3,(H,19,20,24).
What are the key properties of 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 335.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).