2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C17H18N4O2 — CID 95148098

IUPAC2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2nccn2C1
InChIInChI=1S/C17H18N4O2/c22-16(19-11-5-6-15-18-7-8-21(15)10-11)9-13-12-3-1-2-4-14(12)20-17(13)23/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,22)(H,20,23)/t11-,13-/m0/s1
InChIKeyXKUPPADKEDPHSG-AAEUAGOBSA-N
MW310.36 g/mol
LogP1.44
Rot. Bonds3

About 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95148098) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95148098
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2nccn2C1
InChIInChI=1S/C17H18N4O2/c22-16(19-11-5-6-15-18-7-8-21(15)10-11)9-13-12-3-1-2-4-14(12)20-17(13)23/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,22)(H,20,23)/t11-,13-/m0/s1
InChIKeyXKUPPADKEDPHSG-AAEUAGOBSA-N
XLogP1.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95769926
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
2-[(2R)-oxolan-2-yl]-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765472
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
4-pyridin-2-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 95762622
(1S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95134787
2-(2-oxoquinoxalin-1-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95136993
2-(2,3-dihydro-1H-inden-5-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765541
2-(2,3-dihydro-1H-inden-5-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765542
4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 86772130

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95148098) is 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2nccn2C1.
What is the InChIKey of 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is XKUPPADKEDPHSG-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(19-11-5-6-15-18-7-8-21(15)10-11)9-13-12-3-1-2-4-14(12)20-17(13)23/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,22)(H,20,23)/t11-,13-/m0/s1.
What are the key properties of 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95148098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).