N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine

C16H13ClN4O2 — CID 52535710

IUPACN-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(N[C@H]2CCc3c(Cl)cccc32)nc2ccccn12
InChIInChI=1S/C16H13ClN4O2/c17-12-5-3-4-11-10(12)7-8-13(11)18-15-16(21(22)23)20-9-2-1-6-14(20)19-15/h1-6,9,13,18H,7-8H2/t13-/m0/s1
InChIKeyJVZDOJPJJICRQL-ZDUSSCGKSA-N
MW328.76 g/mol
LogP4.00
Rot. Bonds3

About N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 52535710) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID52535710
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(N[C@H]2CCc3c(Cl)cccc32)nc2ccccn12
InChIInChI=1S/C16H13ClN4O2/c17-12-5-3-4-11-10(12)7-8-13(11)18-15-16(21(22)23)20-9-2-1-6-14(20)19-15/h1-6,9,13,18H,7-8H2/t13-/m0/s1
InChIKeyJVZDOJPJJICRQL-ZDUSSCGKSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56800330
(3S)-3-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]piperidine-2,6-dione
CID 97084617
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095496
4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-3-nitrobenzamide
CID 52505874
3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
CID 18095865
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 100664637
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 51112547
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 47087232

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 52535710) is N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine is O=[N+]([O-])c1c(N[C@H]2CCc3c(Cl)cccc32)nc2ccccn12.
What is the InChIKey of N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is JVZDOJPJJICRQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-5-3-4-11-10(12)7-8-13(11)18-15-16(21(22)23)20-9-2-1-6-14(20)19-15/h1-6,9,13,18H,7-8H2/t13-/m0/s1.
What are the key properties of N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 328.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 52535710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).