2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline

C37H36ClN11O3 — CID 162147189

IUPAC2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline
SMILESClc1ccc2ncccc2n1.Cn1cc(O)cn1.Cn1cc(Oc2ccc3c(n2)CCCC3)cn1.Cn1cc(Oc2ccc3ncccc3n2)cn1
InChIInChI=1S/C13H15N3O.C12H10N4O.C8H5ClN2.C4H6N2O/c1-16-9-11(8-14-16)17-13-7-6-10-4-2-3-5-12(10)15-13;1-16-8-9(7-14-16)17-12-5-4-10-11(15-12)3-2-6-13-10;9-8-4-3-6-7(11-8)2-1-5-10-6;1-6-3-4(7)2-5-6/h6-9H,2-5H2,1H3;2-8H,1H3;1-5H;2-3,7H,1H3
InChIKeyZKSDWSUNQPIGIR-UHFFFAOYSA-N
MW718.22 g/mol
LogP7.05
Rot. Bonds4

About 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline

2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline (PubChem CID 162147189) has the molecular formula C37H36ClN11O3 and a molecular weight of 718.22 g/mol. Its IUPAC name is 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline
PubChem CID162147189
Molecular FormulaC37H36ClN11O3
Molecular Weight718.22 g/mol
Exact Mass717.27
IUPAC Name2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline
SMILESClc1ccc2ncccc2n1.Cn1cc(O)cn1.Cn1cc(Oc2ccc3c(n2)CCCC3)cn1.Cn1cc(Oc2ccc3ncccc3n2)cn1
InChIInChI=1S/C13H15N3O.C12H10N4O.C8H5ClN2.C4H6N2O/c1-16-9-11(8-14-16)17-13-7-6-10-4-2-3-5-12(10)15-13;1-16-8-9(7-14-16)17-12-5-4-10-11(15-12)3-2-6-13-10;9-8-4-3-6-7(11-8)2-1-5-10-6;1-6-3-4(7)2-5-6/h6-9H,2-5H2,1H3;2-8H,1H3;1-5H;2-3,7H,1H3
InChIKeyZKSDWSUNQPIGIR-UHFFFAOYSA-N
XLogP7.05
TPSA156.60 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.22
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine;3-(4-methoxy-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine;7-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoxaline
CID 157616613
5-[(2-Chloro-4-pyridinyl)oxy]-1-methyl-3-(trifluoromethyl)indazole;12-(trifluoromethyl)-2-oxa-6,10,11,14-tetrazatetracyclo[8.5.2.13,7.013,17]octadeca-1(16),3(18),4,6,11,13(17),14-heptaene
CID 171537607
1-[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol
CID 176114837
1-[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluoro-2-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
CID 176114849
7-Chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611
7-Chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;hydrochloride
CID 69225612
2-Chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90288365
2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]phenoxy]-N,N-dimethylethanamine
CID 90289124
2-Chloro-7-[1-methyl-3-(pyridin-2-yloxymethyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90289178
2-Chloro-7-[3-[(4-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90289382
2-Chloro-7-[1-methyl-3-(phenoxymethyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90289392
2-Chloro-7-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-4-yl]-1,5-naphthyridine
CID 90289412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline (CID 162147189) is 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline is Clc1ccc2ncccc2n1.Cn1cc(O)cn1.Cn1cc(Oc2ccc3c(n2)CCCC3)cn1.Cn1cc(Oc2ccc3ncccc3n2)cn1.
What is the InChIKey of 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline?
The InChIKey is ZKSDWSUNQPIGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C12H10N4O.C8H5ClN2.C4H6N2O/c1-16-9-11(8-14-16)17-13-7-6-10-4-2-3-5-12(10)15-13;1-16-8-9(7-14-16)17-12-5-4-10-11(15-12)3-2-6-13-10;9-8-4-3-6-7(11-8)2-1-5-10-6;1-6-3-4(7)2-5-6/h6-9H,2-5H2,1H3;2-8H,1H3;1-5H;2-3,7H,1H3.
What are the key properties of 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline?
2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline has a molecular weight of 718.22 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,5-naphthyridine;1-methylpyrazol-4-ol;2-(1-methylpyrazol-4-yl)oxy-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)oxy-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 162147189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).