3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C24H27N7O — CID 168889954

IUPAC3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(-c5cnn(C)c5)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27N7O/c1-3-18-11-21-22(28-24(18)32)10-17(12-25-21)15-30-6-8-31(9-7-30)23-5-4-19(13-26-23)20-14-27-29(2)16-20/h4-5,10-14,16H,3,6-9,15H2,1-2H3,(H,28,32)
InChIKeyBYNPPVJINNMMIB-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.60
Rot. Bonds5

About 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 168889954) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID168889954
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(-c5cnn(C)c5)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27N7O/c1-3-18-11-21-22(28-24(18)32)10-17(12-25-21)15-30-6-8-31(9-7-30)23-5-4-19(13-26-23)20-14-27-29(2)16-20/h4-5,10-14,16H,3,6-9,15H2,1-2H3,(H,28,32)
InChIKeyBYNPPVJINNMMIB-UHFFFAOYSA-N
XLogP2.60
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856729
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889942
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
6-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856773
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 171487990
3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 175887907
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 166088880

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 168889954) is 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4ccc(-c5cnn(C)c5)cn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is BYNPPVJINNMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-18-11-21-22(28-24(18)32)10-17(12-25-21)15-30-6-8-31(9-7-30)23-5-4-19(13-26-23)20-14-27-29(2)16-20/h4-5,10-14,16H,3,6-9,15H2,1-2H3,(H,28,32).
What are the key properties of 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 429.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 168889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).