6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C28H29N5O3 — CID 26221930

IUPAC6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1nc(C)cc1C(=O)N1CCc2c(cc(-c3cccc(OC)c3)c(=O)n2Cc2ccccn2)C1
InChIInChI=1S/C28H29N5O3/c1-4-33-26(14-19(2)30-33)28(35)31-13-11-25-21(17-31)16-24(20-8-7-10-23(15-20)36-3)27(34)32(25)18-22-9-5-6-12-29-22/h5-10,12,14-16H,4,11,13,17-18H2,1-3H3
InChIKeyOLLNRFCBKJEFRB-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.69
Rot. Bonds6

About 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26221930) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26221930
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1nc(C)cc1C(=O)N1CCc2c(cc(-c3cccc(OC)c3)c(=O)n2Cc2ccccn2)C1
InChIInChI=1S/C28H29N5O3/c1-4-33-26(14-19(2)30-33)28(35)31-13-11-25-21(17-31)16-24(20-8-7-10-23(15-20)36-3)27(34)32(25)18-22-9-5-6-12-29-22/h5-10,12,14-16H,4,11,13,17-18H2,1-3H3
InChIKeyOLLNRFCBKJEFRB-UHFFFAOYSA-N
XLogP3.69
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45162011
1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45165138
3,4-dihydro-1H-isoquinolin-2-yl-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42758731
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26139462
(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598227
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26133902
ethyl 5-(3-ethyl-1-methylpyrazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220418
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215805
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26221930) is 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCn1nc(C)cc1C(=O)N1CCc2c(cc(-c3cccc(OC)c3)c(=O)n2Cc2ccccn2)C1.
What is the InChIKey of 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is OLLNRFCBKJEFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-4-33-26(14-19(2)30-33)28(35)31-13-11-25-21(17-31)16-24(20-8-7-10-23(15-20)36-3)27(34)32(25)18-22-9-5-6-12-29-22/h5-10,12,14-16H,4,11,13,17-18H2,1-3H3.
What are the key properties of 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 483.57 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26221930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).