6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one

C26H26ClFN6O — CID 166094502

IUPAC6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one
SMILESCC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(Cl)c[nH]c(=O)c5cn4)c(N)nc3F)cc2)CC1
InChIInChI=1S/C26H26ClFN6O/c1-15(2)33-7-9-34(10-8-33)17-5-3-16(4-6-17)18-11-20(25(29)32-24(18)28)23-12-19-21(13-30-23)26(35)31-14-22(19)27/h3-6,11-15H,7-10H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyXOQIZKAMAHTEAG-UHFFFAOYSA-N
MW492.99 g/mol
LogP4.56
Rot. Bonds4

About 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one

6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one (PubChem CID 166094502) has the molecular formula C26H26ClFN6O and a molecular weight of 492.99 g/mol. Its IUPAC name is 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one
PubChem CID166094502
Molecular FormulaC26H26ClFN6O
Molecular Weight492.99 g/mol
Exact Mass492.18
IUPAC Name6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one
SMILESCC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(Cl)c[nH]c(=O)c5cn4)c(N)nc3F)cc2)CC1
InChIInChI=1S/C26H26ClFN6O/c1-15(2)33-7-9-34(10-8-33)17-5-3-16(4-6-17)18-11-20(25(29)32-24(18)28)23-12-19-21(13-30-23)26(35)31-14-22(19)27/h3-6,11-15H,7-10H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyXOQIZKAMAHTEAG-UHFFFAOYSA-N
XLogP4.56
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166094420
2-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 172750280
6-fluoro-3-(4-methyl-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166093848
6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-3-(methylaminomethyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 166094693
6-fluoro-3-(8-fluoro-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166094585
7-[3-amino-5-fluoro-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazin-2-yl]spiro[2,3-dihydroisoquinoline-1,1'-cyclopropane]-4-one
CID 166092217
6-[2-amino-5-[4-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]phenyl]-6-fluoro-3-pyridinyl]-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093700
3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine
CID 166093964
6-[2-amino-6-fluoro-5-(5-piperazin-1-yl-2-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166093986
6-[2-amino-5-[4-(4-ethylpiperazin-1-yl)phenyl]-6-fluoro-3-pyridinyl]-4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 166093834
6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazin-2-amine
CID 166092555
6-[2-amino-5-[3-[(dimethylamino)methyl]-4-morpholin-4-ylphenyl]-6-fluoro-3-pyridinyl]-4-fluoro-2H-isoquinolin-1-one
CID 166094083

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one (CID 166094502) is 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one is CC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(Cl)c[nH]c(=O)c5cn4)c(N)nc3F)cc2)CC1.
What is the InChIKey of 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one?
The InChIKey is XOQIZKAMAHTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O/c1-15(2)33-7-9-34(10-8-33)17-5-3-16(4-6-17)18-11-20(25(29)32-24(18)28)23-12-19-21(13-30-23)26(35)31-14-22(19)27/h3-6,11-15H,7-10H2,1-2H3,(H2,29,32)(H,31,35).
What are the key properties of 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one?
6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one has a molecular weight of 492.99 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 166094502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).