[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

C20H20N4O3 — CID 110427297

IUPAC[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccn12
InChIInChI=1S/C20H20N4O3/c1-13(2)11-18-21-19(16-5-3-4-9-22(16)18)20(25)23-10-8-14-6-7-15(24(26)27)12-17(14)23/h3-7,9,12-13H,8,10-11H2,1-2H3
InChIKeyATYFLRTUDCKGNR-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.64
Rot. Bonds4

About [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 110427297) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID110427297
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccn12
InChIInChI=1S/C20H20N4O3/c1-13(2)11-18-21-19(16-5-3-4-9-22(16)18)20(25)23-10-8-14-6-7-15(24(26)27)12-17(14)23/h3-7,9,12-13H,8,10-11H2,1-2H3
InChIKeyATYFLRTUDCKGNR-UHFFFAOYSA-N
XLogP3.64
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
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

(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
ethyl 2-methyl-3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 11011775
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 110427297) is [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is CC(C)Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccn12.
What is the InChIKey of [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ATYFLRTUDCKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(2)11-18-21-19(16-5-3-4-9-22(16)18)20(25)23-10-8-14-6-7-15(24(26)27)12-17(14)23/h3-7,9,12-13H,8,10-11H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 364.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110427297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).