5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile

C16H14N6O3 — CID 127025337

IUPAC5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-]
InChIInChI=1S/C16H14N6O3/c1-8-2-3-11-9(6-8)16(15(23)20-11)10(7-17)13(18)21-5-4-19-14(21)12(16)22(24)25/h2-3,6,19H,4-5,18H2,1H3,(H,20,23)
InChIKeyDFSIBEALBHGSCF-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.24
Rot. Bonds1

About 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile

5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile (PubChem CID 127025337) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile.

Molecular Properties

Compound Name5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile
PubChem CID127025337
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-]
InChIInChI=1S/C16H14N6O3/c1-8-2-3-11-9(6-8)16(15(23)20-11)10(7-17)13(18)21-5-4-19-14(21)12(16)22(24)25/h2-3,6,19H,4-5,18H2,1H3,(H,20,23)
InChIKeyDFSIBEALBHGSCF-UHFFFAOYSA-N
XLogP0.24
TPSA137.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The IUPAC name of 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile (CID 127025337) is 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile.
What is the SMILES notation for 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The canonical SMILES for 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile is Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-].
What is the InChIKey of 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The InChIKey is DFSIBEALBHGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-8-2-3-11-9(6-8)16(15(23)20-11)10(7-17)13(18)21-5-4-19-14(21)12(16)22(24)25/h2-3,6,19H,4-5,18H2,1H3,(H,20,23).
What are the key properties of 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile has a molecular weight of 338.33 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile is sourced from PubChem (CID 127025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).