2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine

C17H15N3O — CID 82356379

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccn2c(N=O)c(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C17H15N3O/c1-11-7-8-20-15(9-11)18-16(17(20)19-21)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyNFIFYEIFVVDITO-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.20
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356379) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356379
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccn2c(N=O)c(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C17H15N3O/c1-11-7-8-20-15(9-11)18-16(17(20)19-21)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyNFIFYEIFVVDITO-UHFFFAOYSA-N
XLogP4.20
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
5-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82356402
7-methyl-3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356376
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628
2-(2,4-dimethoxyphenyl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356383
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 82055303
1-methyl-5-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-3H-indol-2-one
CID 82356282
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265
13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
CID 113303285
3,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-6-amine
CID 82060083

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356379) is 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine is Cc1ccn2c(N=O)c(-c3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is NFIFYEIFVVDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-7-8-20-15(9-11)18-16(17(20)19-21)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 277.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).