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

C26H25ClFN5O — CID 53372465

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN1CCC(COc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1
InChIInChI=1S/C26H25ClFN5O/c1-33-11-7-17(8-12-33)16-34-25-15-29-10-6-22(25)31-23-14-24(20-13-18(27)4-5-21(20)28)32-26-19(23)3-2-9-30-26/h2-6,9-10,13-15,17H,7-8,11-12,16H2,1H3,(H,29,30,31,32)
InChIKeyPXPNJYMBQGXYOP-UHFFFAOYSA-N
MW477.97 g/mol
LogP5.95
Rot. Bonds6

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

2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53372465) has the molecular formula C26H25ClFN5O and a molecular weight of 477.97 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53372465
Molecular FormulaC26H25ClFN5O
Molecular Weight477.97 g/mol
Exact Mass477.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCN1CCC(COc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1
InChIInChI=1S/C26H25ClFN5O/c1-33-11-7-17(8-12-33)16-34-25-15-29-10-6-22(25)31-23-14-24(20-13-18(27)4-5-21(20)28)32-26-19(23)3-2-9-30-26/h2-6,9-10,13-15,17H,7-8,11-12,16H2,1H3,(H,29,30,31,32)
InChIKeyPXPNJYMBQGXYOP-UHFFFAOYSA-N
XLogP5.95
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
HG-9-91-01 derivative, 6
CID 121596783
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
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]-N',N'-diethylpropane-1,3-diamine
CID 44528800
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53372465) is 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is CN1CCC(COc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is PXPNJYMBQGXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O/c1-33-11-7-17(8-12-33)16-34-25-15-29-10-6-22(25)31-23-14-24(20-13-18(27)4-5-21(20)28)32-26-19(23)3-2-9-30-26/h2-6,9-10,13-15,17H,7-8,11-12,16H2,1H3,(H,29,30,31,32).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 477.97 g/mol, XLogP of 5.95, 6 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-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53372465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).