2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile

C22H15BrN4O — CID 139214302

IUPAC2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccccc3Br)C(C#N)=C(N)O2)c2ccccc21
InChIInChI=1S/C22H15BrN4O/c1-27-12-17(13-6-3-5-9-19(13)27)21-15(10-24)20(16(11-25)22(26)28-21)14-7-2-4-8-18(14)23/h2-9,12,20H,26H2,1H3
InChIKeyDHERSJLKNRCLAW-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.68
Rot. Bonds2

About 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile

2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile (PubChem CID 139214302) has the molecular formula C22H15BrN4O and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile
PubChem CID139214302
Molecular FormulaC22H15BrN4O
Molecular Weight431.29 g/mol
Exact Mass430.04
IUPAC Name2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccccc3Br)C(C#N)=C(N)O2)c2ccccc21
InChIInChI=1S/C22H15BrN4O/c1-27-12-17(13-6-3-5-9-19(13)27)21-15(10-24)20(16(11-25)22(26)28-21)14-7-2-4-8-18(14)23/h2-9,12,20H,26H2,1H3
InChIKeyDHERSJLKNRCLAW-UHFFFAOYSA-N
XLogP4.68
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_C(7)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 139214305
(4R)-5-acetyl-2-amino-4-(2-bromophenyl)-6-methyl-4H-pyran-3-carbonitrile
CID 8610749
2-amino-4-(2-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3655717
2-amino-4-(1-methylindol-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 139228785
(4R)-6-amino-4-(2-bromophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1114946
6-amino-4-(2-bromophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23637325
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
(4S)-2-amino-4-(2-bromophenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613713
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3830531
2-amino-4-(2-bromophenyl)-8-[(2-bromophenyl)methylidene]-6-propan-2-yl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 71835500
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile (CID 139214302) is 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile is Cn1cc(C2=C(C#N)C(c3ccccc3Br)C(C#N)=C(N)O2)c2ccccc21.
What is the InChIKey of 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile?
The InChIKey is DHERSJLKNRCLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4O/c1-27-12-17(13-6-3-5-9-19(13)27)21-15(10-24)20(16(11-25)22(26)28-21)14-7-2-4-8-18(14)23/h2-9,12,20H,26H2,1H3.
What are the key properties of 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile?
2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile has a molecular weight of 431.29 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 139214302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).