2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

C22H18ClFN4O2 — CID 53371539

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C22H18ClFN4O2/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28)
InChIKeyBQHORJDIGSXYPR-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.25
Rot. Bonds7

About 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53371539) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53371539
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C22H18ClFN4O2/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28)
InChIKeyBQHORJDIGSXYPR-UHFFFAOYSA-N
XLogP5.25
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564530
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078
8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 155556571
1-Tert-butyl-3-(6-(2,6-dichlorophenyl)-2-(4-(2-(diethylamino)ethoxy)phenylamino)pyrido[2,3-d]pyrimidin-7-yl)urea
CID 44294644
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-(3-morpholin-4-ylpropoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564023
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564025
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
CID 127035117
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-morpholin-4-ylpyrimidin-2-yl)quinazolin-4-amine
CID 145952005
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(2-morpholin-4-ylpyrimidin-4-yl)quinazolin-4-amine
CID 145974775
5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
CID 71086604
5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyridin-2-amine
CID 71105463
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78320603

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53371539) is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is COCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is BQHORJDIGSXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 424.86 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53371539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).