N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

C23H22Cl2N4O — CID 154896783

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C23H20N4O.2ClH/c24-22-18-9-5-4-8-16(18)12-19(22)26-23(28)17-10-11-21-25-20(14-27(21)13-17)15-6-2-1-3-7-15;;/h1-11,13-14,19,22H,12,24H2,(H,26,28);2*1H/t19-,22-;;/m0../s1
InChIKeyVLGSDGCTZQXVPZ-VVJLZRNGSA-N
MW441.36 g/mol
LogP4.20
Rot. Bonds3

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (PubChem CID 154896783) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
PubChem CID154896783
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C23H20N4O.2ClH/c24-22-18-9-5-4-8-16(18)12-19(22)26-23(28)17-10-11-21-25-20(14-27(21)13-17)15-6-2-1-3-7-15;;/h1-11,13-14,19,22H,12,24H2,(H,26,28);2*1H/t19-,22-;;/m0../s1
InChIKeyVLGSDGCTZQXVPZ-VVJLZRNGSA-N
XLogP4.20
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
CID 74244794
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-cyclopropyl-6-oxopyridine-3-carboxamide
CID 138011361
2-phenyl-N-(2-pyrazolidin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134080839
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
(2-phenylazetidin-1-yl)-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 72915799
N-(4-morpholin-4-ylphenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 53167088
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
CID 138011380
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-(4-cyanophenyl)-N-cyclobutylimidazo[1,2-a]pyridine-6-carboxamide
CID 155597709
N-cyclobutyl-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 24739145
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (CID 154896783) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is Cl.Cl.N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2nc(-c3ccccc3)cn2c1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The InChIKey is VLGSDGCTZQXVPZ-VVJLZRNGSA-N. The full InChI is InChI=1S/C23H20N4O.2ClH/c24-22-18-9-5-4-8-16(18)12-19(22)26-23(28)17-10-11-21-25-20(14-27(21)13-17)15-6-2-1-3-7-15;;/h1-11,13-14,19,22H,12,24H2,(H,26,28);2*1H/t19-,22-;;/m0../s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride has a molecular weight of 441.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 154896783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).