7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide

C25H19FN4O2 — CID 56530756

IUPAC7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C25H19FN4O2/c1-16-11-22(21-9-8-17(26)12-23(21)27-16)25(31)29-18-5-4-6-20(13-18)32-15-19-14-30-10-3-2-7-24(30)28-19/h2-14H,15H2,1H3,(H,29,31)
InChIKeyGASJVZFRKHGIER-UHFFFAOYSA-N
MW426.45 g/mol
LogP5.16
Rot. Bonds5

About 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide (PubChem CID 56530756) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide
PubChem CID56530756
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C25H19FN4O2/c1-16-11-22(21-9-8-17(26)12-23(21)27-16)25(31)29-18-5-4-6-20(13-18)32-15-19-14-30-10-3-2-7-24(30)28-19/h2-14H,15H2,1H3,(H,29,31)
InChIKeyGASJVZFRKHGIER-UHFFFAOYSA-N
XLogP5.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 56530573
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,4-dimethoxybenzamide
CID 56530511
2-(2-ethoxyethoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56582400
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56537715
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 56530576
3-chloro-6-ethoxy-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 56530800
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide (CID 56530756) is 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide?
The InChIKey is GASJVZFRKHGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c1-16-11-22(21-9-8-17(26)12-23(21)27-16)25(31)29-18-5-4-6-20(13-18)32-15-19-14-30-10-3-2-7-24(30)28-19/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 56530756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).