1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole

C21H19N6O+ — CID 24844806

IUPAC1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
SMILESCOc1ccc2[nH]c3c(C)c4ccnc(C5=[N+](C6=NCCN6)N5)c4cc3c2c1
InChIInChI=1S/C21H18N6O/c1-11-13-5-6-22-19(20-26-27(20)21-23-7-8-24-21)15(13)10-16-14-9-12(28-2)3-4-17(14)25-18(11)16/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,24,25,26)/p+1
InChIKeyKDRNXVNFLQXTIN-UHFFFAOYSA-O
MW371.42 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole

1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole (PubChem CID 24844806) has the molecular formula C21H19N6O+ and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
PubChem CID24844806
Molecular FormulaC21H19N6O+
Molecular Weight371.42 g/mol
Exact Mass371.16
IUPAC Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
SMILESCOc1ccc2[nH]c3c(C)c4ccnc(C5=[N+](C6=NCCN6)N5)c4cc3c2c1
InChIInChI=1S/C21H18N6O/c1-11-13-5-6-22-19(20-26-27(20)21-23-7-8-24-21)15(13)10-16-14-9-12(28-2)3-4-17(14)25-18(11)16/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,24,25,26)/p+1
InChIKeyKDRNXVNFLQXTIN-UHFFFAOYSA-O
XLogP2.42
TPSA87.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134849305
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 3047245
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
1,9-dimethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 14476701
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 11021716
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
1-N,1-N-diethyl-4-N-(9-hydroperoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine;hydrate
CID 90475800
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
3-chloro-1,6-dimethoxy-9H-carbazole
CID 171714846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole?
The IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole (CID 24844806) is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole.
What is the SMILES notation for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole?
The canonical SMILES for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole is COc1ccc2[nH]c3c(C)c4ccnc(C5=[N+](C6=NCCN6)N5)c4cc3c2c1.
What is the InChIKey of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole?
The InChIKey is KDRNXVNFLQXTIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H18N6O/c1-11-13-5-6-22-19(20-26-27(20)21-23-7-8-24-21)15(13)10-16-14-9-12(28-2)3-4-17(14)25-18(11)16/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,24,25,26)/p+1.
What are the key properties of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole?
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole has a molecular weight of 371.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole is sourced from PubChem (CID 24844806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).