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

C26H25ClFN5O2 — CID 53372194

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32)
InChIKeySURWYYDTVXYTJD-UHFFFAOYSA-N
MW493.97 g/mol
LogP5.33
Rot. Bonds8

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

2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53372194) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53372194
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32)
InChIKeySURWYYDTVXYTJD-UHFFFAOYSA-N
XLogP5.33
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.97
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 121596780
7-[(3-Chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70693674
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049905
8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050068
8-(2-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055004
8-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[1-(2-methoxypyridin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055008
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
US11773078, Example 315
CID 146240983
N'-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]propane-1,3-diamine
CID 44528857
7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536601
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-(3-morpholin-4-ylpropoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564023

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53372194) is 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is SURWYYDTVXYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 493.97 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53372194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).