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

C17H15N5O2 — CID 137049134

IUPAC2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCc4ccccc43)n2)n1
InChIInChI=1S/C17H15N5O2/c1-11-10-15(23)19-17(18-11)22-9-7-13(20-22)16(24)21-8-6-12-4-2-3-5-14(12)21/h2-5,7,9-10H,6,8H2,1H3,(H,18,19,23)
InChIKeyDLJNLXYTKXSZSO-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.47
Rot. Bonds2

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

2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049134) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049134
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCc4ccccc43)n2)n1
InChIInChI=1S/C17H15N5O2/c1-11-10-15(23)19-17(18-11)22-9-7-13(20-22)16(24)21-8-6-12-4-2-3-5-14(12)21/h2-5,7,9-10H,6,8H2,1H3,(H,18,19,23)
InChIKeyDLJNLXYTKXSZSO-UHFFFAOYSA-N
XLogP1.47
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049134) is 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCc4ccccc43)n2)n1.
What is the InChIKey of 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DLJNLXYTKXSZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-10-15(23)19-17(18-11)22-9-7-13(20-22)16(24)21-8-6-12-4-2-3-5-14(12)21/h2-5,7,9-10H,6,8H2,1H3,(H,18,19,23).
What are the key properties of 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 321.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).