(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide

C22H31N3O2 — CID 93018642

IUPAC(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCOc1cccc([C@H](CC(=O)NCC(C)C)c2cnc3n2[C@@H](C)CCC3)c1
InChIInChI=1S/C22H31N3O2/c1-15(2)13-24-22(26)12-19(17-8-6-9-18(11-17)27-4)20-14-23-21-10-5-7-16(3)25(20)21/h6,8-9,11,14-16,19H,5,7,10,12-13H2,1-4H3,(H,24,26)/t16-,19-/m0/s1
InChIKeyHLPVSTYEQOQZKN-LPHOPBHVSA-N
MW369.51 g/mol
LogP4.08
Rot. Bonds7

About (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide

(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 93018642) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID93018642
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCOc1cccc([C@H](CC(=O)NCC(C)C)c2cnc3n2[C@@H](C)CCC3)c1
InChIInChI=1S/C22H31N3O2/c1-15(2)13-24-22(26)12-19(17-8-6-9-18(11-17)27-4)20-14-23-21-10-5-7-16(3)25(20)21/h6,8-9,11,14-16,19H,5,7,10,12-13H2,1-4H3,(H,24,26)/t16-,19-/m0/s1
InChIKeyHLPVSTYEQOQZKN-LPHOPBHVSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 93018653
(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 93018951
N-cyclohexyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4145383
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
(3S)-3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylpropanamide
CID 7332110
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 111386411

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (CID 93018642) is (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is COc1cccc([C@H](CC(=O)NCC(C)C)c2cnc3n2[C@@H](C)CCC3)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is HLPVSTYEQOQZKN-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)13-24-22(26)12-19(17-8-6-9-18(11-17)27-4)20-14-23-21-10-5-7-16(3)25(20)21/h6,8-9,11,14-16,19H,5,7,10,12-13H2,1-4H3,(H,24,26)/t16-,19-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
(3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-N-(2-methylpropyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 93018642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).