N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C29H29N3O2 — CID 42246205

IUPACN-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(c1cn2ccccc2n1)N(Cc1cccc(OC2Cc3ccccc3C2)c1)C1CCCC1
InChIInChI=1S/C29H29N3O2/c33-29(27-20-31-15-6-5-14-28(31)30-27)32(24-11-3-4-12-24)19-21-8-7-13-25(16-21)34-26-17-22-9-1-2-10-23(22)18-26/h1-2,5-10,13-16,20,24,26H,3-4,11-12,17-19H2
InChIKeyMNPPHOUHORVTFY-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.47
Rot. Bonds6

About N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42246205) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42246205
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(c1cn2ccccc2n1)N(Cc1cccc(OC2Cc3ccccc3C2)c1)C1CCCC1
InChIInChI=1S/C29H29N3O2/c33-29(27-20-31-15-6-5-14-28(31)30-27)32(24-11-3-4-12-24)19-21-8-7-13-25(16-21)34-26-17-22-9-1-2-10-23(22)18-26/h1-2,5-10,13-16,20,24,26H,3-4,11-12,17-19H2
InChIKeyMNPPHOUHORVTFY-UHFFFAOYSA-N
XLogP5.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46231013
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-[(2R)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 146264140
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226279
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(methyl)amino]acetate
CID 43408804
4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 12002070
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55859064
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71893064
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910
N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 63311234

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 42246205) is N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(c1cn2ccccc2n1)N(Cc1cccc(OC2Cc3ccccc3C2)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MNPPHOUHORVTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c33-29(27-20-31-15-6-5-14-28(31)30-27)32(24-11-3-4-12-24)19-21-8-7-13-25(16-21)34-26-17-22-9-1-2-10-23(22)18-26/h1-2,5-10,13-16,20,24,26H,3-4,11-12,17-19H2.
What are the key properties of N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42246205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).