3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one

C19H20ClN5O — CID 172553429

IUPAC3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESCc1c(Cl)c(=O)[nH]c2cc(CN3CCN(c4ccccn4)CC3)cnc12
InChIInChI=1S/C19H20ClN5O/c1-13-17(20)19(26)23-15-10-14(11-22-18(13)15)12-24-6-8-25(9-7-24)16-4-2-3-5-21-16/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKeyCIYROWNVUGPHJC-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.60
Rot. Bonds3

About 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one

3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 172553429) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
PubChem CID172553429
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESCc1c(Cl)c(=O)[nH]c2cc(CN3CCN(c4ccccn4)CC3)cnc12
InChIInChI=1S/C19H20ClN5O/c1-13-17(20)19(26)23-15-10-14(11-22-18(13)15)12-24-6-8-25(9-7-24)16-4-2-3-5-21-16/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKeyCIYROWNVUGPHJC-UHFFFAOYSA-N
XLogP2.60
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one with MolForge

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Related Compounds

1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
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1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
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8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 172553427
2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
6-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856773
1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine
CID 159041794
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one (CID 172553429) is 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one is Cc1c(Cl)c(=O)[nH]c2cc(CN3CCN(c4ccccn4)CC3)cnc12.
What is the InChIKey of 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is CIYROWNVUGPHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-17(20)19(26)23-15-10-14(11-22-18(13)15)12-24-6-8-25(9-7-24)16-4-2-3-5-21-16/h2-5,10-11H,6-9,12H2,1H3,(H,23,26).
What are the key properties of 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 369.86 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 172553429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).