N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C23H26N4O2 — CID 119875059

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C23H26N4O2/c28-23(21-12-16-6-1-2-9-20(16)26-21)25-17-7-5-8-19(13-17)29-15-18-14-27-11-4-3-10-22(27)24-18/h3-5,7-8,10-11,13-14,16,20-21,26H,1-2,6,9,12,15H2,(H,25,28)
InChIKeyKTJVLRZAFGYDGT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119875059) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119875059
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C23H26N4O2/c28-23(21-12-16-6-1-2-9-20(16)26-21)25-17-7-5-8-19(13-17)29-15-18-14-27-11-4-3-10-22(27)24-18/h3-5,7-8,10-11,13-14,16,20-21,26H,1-2,6,9,12,15H2,(H,25,28)
InChIKeyKTJVLRZAFGYDGT-UHFFFAOYSA-N
XLogP3.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(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]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 56582273
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119284193
(2R)-N-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119879271
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
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]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
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
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119875059) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CC2CCCCC2N1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is KTJVLRZAFGYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(21-12-16-6-1-2-9-20(16)26-21)25-17-7-5-8-19(13-17)29-15-18-14-27-11-4-3-10-22(27)24-18/h3-5,7-8,10-11,13-14,16,20-21,26H,1-2,6,9,12,15H2,(H,25,28).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119875059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).