2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone

C26H28N6O — CID 160773529

IUPAC2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
SMILESCCc1ccccc1-c1cc2cc(CC(=O)c3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C26H28N6O/c1-2-17-5-3-4-6-22(17)24-12-18-11-20(29-15-23(18)26(27)31-24)13-25(33)19-14-30-32(16-19)21-7-9-28-10-8-21/h3-6,11-12,14-16,21,28H,2,7-10,13H2,1H3,(H2,27,31)
InChIKeyRQCVVXKSGCRCFL-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.99
Rot. Bonds6

About 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone

2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone (PubChem CID 160773529) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
PubChem CID160773529
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
SMILESCCc1ccccc1-c1cc2cc(CC(=O)c3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C26H28N6O/c1-2-17-5-3-4-6-22(17)24-12-18-11-20(29-15-23(18)26(27)31-24)13-25(33)19-14-30-32(16-19)21-7-9-28-10-8-21/h3-6,11-12,14-16,21,28H,2,7-10,13H2,1H3,(H2,27,31)
InChIKeyRQCVVXKSGCRCFL-UHFFFAOYSA-N
XLogP3.99
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone with MolForge

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Related Compounds

3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 159211145
3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135345232
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148656617
2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 161155685
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 162016532
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 157434152
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792
3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 158167794

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone (CID 160773529) is 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone is CCc1ccccc1-c1cc2cc(CC(=O)c3cnn(C4CCNCC4)c3)ncc2c(N)n1.
What is the InChIKey of 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone?
The InChIKey is RQCVVXKSGCRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-2-17-5-3-4-6-22(17)24-12-18-11-20(29-15-23(18)26(27)31-24)13-25(33)19-14-30-32(16-19)21-7-9-28-10-8-21/h3-6,11-12,14-16,21,28H,2,7-10,13H2,1H3,(H2,27,31).
What are the key properties of 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone?
2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone has a molecular weight of 440.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 160773529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).