N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C25H21N3O4 — CID 56582295

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C25H21N3O4/c1-25(14-17-7-2-3-10-21(17)23(29)32-25)24(30)27-18-8-6-9-20(13-18)31-16-19-15-28-12-5-4-11-22(28)26-19/h2-13,15H,14,16H2,1H3,(H,27,30)
InChIKeyJARRVSYOPVSBEY-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.02
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 56582295) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID56582295
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C25H21N3O4/c1-25(14-17-7-2-3-10-21(17)23(29)32-25)24(30)27-18-8-6-9-20(13-18)31-16-19-15-28-12-5-4-11-22(28)26-19/h2-13,15H,14,16H2,1H3,(H,27,30)
InChIKeyJARRVSYOPVSBEY-UHFFFAOYSA-N
XLogP4.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
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
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
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
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 167874535
(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120636307
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 56582273

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 56582295) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CC1(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)Cc2ccccc2C(=O)O1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is JARRVSYOPVSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-25(14-17-7-2-3-10-21(17)23(29)32-25)24(30)27-18-8-6-9-20(13-18)31-16-19-15-28-12-5-4-11-22(28)26-19/h2-13,15H,14,16H2,1H3,(H,27,30).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 56582295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).