2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one

C15H17ClN4O — CID 130326939

IUPAC2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one
SMILESCC1(C)NC(=O)C(C)(Cn2cccn2)c2nc(Cl)ccc21
InChIInChI=1S/C15H17ClN4O/c1-14(2)10-5-6-11(16)18-12(10)15(3,13(21)19-14)9-20-8-4-7-17-20/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyDWVDJMZQHSYESX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one

2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one (PubChem CID 130326939) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one
PubChem CID130326939
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one
SMILESCC1(C)NC(=O)C(C)(Cn2cccn2)c2nc(Cl)ccc21
InChIInChI=1S/C15H17ClN4O/c1-14(2)10-5-6-11(16)18-12(10)15(3,13(21)19-14)9-20-8-4-7-17-20/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyDWVDJMZQHSYESX-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
CID 130326984
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
CID 170254370
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 115473937
6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473872
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 19932785
3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
CID 63362374
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one
CID 170254757
4-[(3,6-dichloro-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63595115
1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde
CID 138504533
4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63607835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one?
The IUPAC name of 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one (CID 130326939) is 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one is CC1(C)NC(=O)C(C)(Cn2cccn2)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one?
The InChIKey is DWVDJMZQHSYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-14(2)10-5-6-11(16)18-12(10)15(3,13(21)19-14)9-20-8-4-7-17-20/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one?
2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one has a molecular weight of 304.78 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 130326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).