N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

C16H22Cl2N4O2 — CID 172910400

IUPACN-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1C[C@H]2CNC[C@H]2C[C@@H]1O)c1ccc2nccn2c1
InChIInChI=1S/C16H20N4O2.2ClH/c21-14-6-12-8-17-7-11(12)5-13(14)19-16(22)10-1-2-15-18-3-4-20(15)9-10;;/h1-4,9,11-14,17,21H,5-8H2,(H,19,22);2*1H/t11-,12+,13-,14-;;/m0../s1
InChIKeyJGYDPFAYXWBHBS-YIZGWMCTSA-N
MW373.28 g/mol
LogP1.27
Rot. Bonds2

About N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (PubChem CID 172910400) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
PubChem CID172910400
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC NameN-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1C[C@H]2CNC[C@H]2C[C@@H]1O)c1ccc2nccn2c1
InChIInChI=1S/C16H20N4O2.2ClH/c21-14-6-12-8-17-7-11(12)5-13(14)19-16(22)10-1-2-15-18-3-4-20(15)9-10;;/h1-4,9,11-14,17,21H,5-8H2,(H,19,22);2*1H/t11-,12+,13-,14-;;/m0../s1
InChIKeyJGYDPFAYXWBHBS-YIZGWMCTSA-N
XLogP1.27
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
N-(7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 22565865
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(4-aminocyclohexyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 119476017
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
N-[(1R,2R)-2-ethoxycyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 126454795
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 172911052
N-[(1R)-1-piperidin-4-ylethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 166248842
N-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704051
N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128989290
N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012821

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The IUPAC name of N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (CID 172910400) is N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@H]1C[C@H]2CNC[C@H]2C[C@@H]1O)c1ccc2nccn2c1.
What is the InChIKey of N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The InChIKey is JGYDPFAYXWBHBS-YIZGWMCTSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c21-14-6-12-8-17-7-11(12)5-13(14)19-16(22)10-1-2-15-18-3-4-20(15)9-10;;/h1-4,9,11-14,17,21H,5-8H2,(H,19,22);2*1H/t11-,12+,13-,14-;;/m0../s1.
What are the key properties of N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 172910400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).