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

C23H27N3O2 — CID 93019363

IUPAC(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccccc1[C@H](CC(=O)NCc1ccco1)c1cnc2n1CCC[C@@H]2C
InChIInChI=1S/C23H27N3O2/c1-16-7-3-4-10-19(16)20(13-22(27)24-14-18-9-6-12-28-18)21-15-25-23-17(2)8-5-11-26(21)23/h3-4,6-7,9-10,12,15,17,20H,5,8,11,13-14H2,1-2H3,(H,24,27)/t17-,20-/m0/s1
InChIKeySNQASJUXSUFJFG-PXNSSMCTSA-N
MW377.49 g/mol
LogP4.52
Rot. Bonds6

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

(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 93019363) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID93019363
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccccc1[C@H](CC(=O)NCc1ccco1)c1cnc2n1CCC[C@@H]2C
InChIInChI=1S/C23H27N3O2/c1-16-7-3-4-10-19(16)20(13-22(27)24-14-18-9-6-12-28-18)21-15-25-23-17(2)8-5-11-26(21)23/h3-4,6-7,9-10,12,15,17,20H,5,8,11,13-14H2,1-2H3,(H,24,27)/t17-,20-/m0/s1
InChIKeySNQASJUXSUFJFG-PXNSSMCTSA-N
XLogP4.52
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93019360
1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42879930
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42782132
3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
CID 86925215
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
(2S)-1-[(2R)-4-(furan-2-ylmethylamino)-2-hydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 70329798
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (CID 93019363) is (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccccc1[C@H](CC(=O)NCc1ccco1)c1cnc2n1CCC[C@@H]2C.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is SNQASJUXSUFJFG-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-7-3-4-10-19(16)20(13-22(27)24-14-18-9-6-12-28-18)21-15-25-23-17(2)8-5-11-26(21)23/h3-4,6-7,9-10,12,15,17,20H,5,8,11,13-14H2,1-2H3,(H,24,27)/t17-,20-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 93019363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).