2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C26H20FN5O2 — CID 168970796

IUPAC2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cn3ccc4c(N5CC(c6ccc(F)cc6)C5)cncc4c3=O)cn2c1
InChIInChI=1S/C26H20FN5O2/c27-20-4-2-18(3-5-20)19-12-31(13-19)24-10-28-9-23-22(24)7-8-30(26(23)34)14-21-15-32-11-17(16-33)1-6-25(32)29-21/h1-11,15-16,19H,12-14H2
InChIKeyCIBKMHDRQJYNDA-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.65
Rot. Bonds5

About 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 168970796) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID168970796
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC Name2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cn3ccc4c(N5CC(c6ccc(F)cc6)C5)cncc4c3=O)cn2c1
InChIInChI=1S/C26H20FN5O2/c27-20-4-2-18(3-5-20)19-12-31(13-19)24-10-28-9-23-22(24)7-8-30(26(23)34)14-21-15-32-11-17(16-33)1-6-25(32)29-21/h1-11,15-16,19H,12-14H2
InChIKeyCIBKMHDRQJYNDA-UHFFFAOYSA-N
XLogP3.65
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Linaprazan
CID 9951066
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
US10774086, Example 7
CID 134551551
6-fluoro-3-[5-(pyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980540
6-(7-Fluoro-6-pyridin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
CID 146315904
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891
3-[2-(Dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 10785916

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 168970796) is 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(Cn3ccc4c(N5CC(c6ccc(F)cc6)C5)cncc4c3=O)cn2c1.
What is the InChIKey of 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is CIBKMHDRQJYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c27-20-4-2-18(3-5-20)19-12-31(13-19)24-10-28-9-23-22(24)7-8-30(26(23)34)14-21-15-32-11-17(16-33)1-6-25(32)29-21/h1-11,15-16,19H,12-14H2.
What are the key properties of 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 453.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 168970796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).