1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

C20H23N5O — CID 157443965

IUPAC1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCC(N)CC4)cc3n2)cn1
InChIInChI=1S/C20H23N5O/c1-25-12-15(11-23-25)18-7-4-14-10-22-17(8-19(14)24-18)9-20(26)13-2-5-16(21)6-3-13/h4,7-8,10-13,16H,2-3,5-6,9,21H2,1H3
InChIKeyBRZSQRQIPAAWCB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 157443965) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID157443965
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCC(N)CC4)cc3n2)cn1
InChIInChI=1S/C20H23N5O/c1-25-12-15(11-23-25)18-7-4-14-10-22-17(8-19(14)24-18)9-20(26)13-2-5-16(21)6-3-13/h4,7-8,10-13,16H,2-3,5-6,9,21H2,1H3
InChIKeyBRZSQRQIPAAWCB-UHFFFAOYSA-N
XLogP2.66
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160826178
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
CID 159638951
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159890258
2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
CID 158970012
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone
CID 158326417
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159778819

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (CID 157443965) is 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4CCC(N)CC4)cc3n2)cn1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is BRZSQRQIPAAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25-12-15(11-23-25)18-7-4-14-10-22-17(8-19(14)24-18)9-20(26)13-2-5-16(21)6-3-13/h4,7-8,10-13,16H,2-3,5-6,9,21H2,1H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 157443965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).