[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone

C17H14N4O3 — CID 35414080

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H14N4O3/c1-10-8-11-4-2-3-5-15(11)20(10)17(22)16-13-9-12(21(23)24)6-7-14(13)18-19-16/h2-7,9-10H,8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyAQLRQIBJCVMFBI-SNVBAGLBSA-N
MW322.32 g/mol
LogP3.06
Rot. Bonds2

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone (PubChem CID 35414080) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
PubChem CID35414080
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H14N4O3/c1-10-8-11-4-2-3-5-15(11)20(10)17(22)16-13-9-12(21(23)24)6-7-14(13)18-19-16/h2-7,9-10H,8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyAQLRQIBJCVMFBI-SNVBAGLBSA-N
XLogP3.06
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 96534646
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62075475
(2,3-dimethylpiperazin-1-yl)-(5-nitro-1H-indazol-3-yl)methanone;hydrochloride
CID 120571128
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 17320606
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanone
CID 27461359
furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 3892710
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone;hydrochloride
CID 120743019
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
CID 43995791
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 119539126

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone (CID 35414080) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone?
The InChIKey is AQLRQIBJCVMFBI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10-8-11-4-2-3-5-15(11)20(10)17(22)16-13-9-12(21(23)24)6-7-14(13)18-19-16/h2-7,9-10H,8H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone has a molecular weight of 322.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 35414080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).