2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C26H25N3 — CID 140550828

IUPAC2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccccn2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H25N3/c1-20-10-11-25-23(17-20)24-19-28(18-21-7-3-2-4-8-21)15-13-26(24)29(25)16-12-22-9-5-6-14-27-22/h2-12,14,16-17H,13,15,18-19H2,1H3/b16-12-
InChIKeyOODINHXKLXWVSF-VBKFSLOCSA-N
MW379.51 g/mol
LogP5.53
Rot. Bonds4

About 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 140550828) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID140550828
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccccn2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H25N3/c1-20-10-11-25-23(17-20)24-19-28(18-21-7-3-2-4-8-21)15-13-26(24)29(25)16-12-22-9-5-6-14-27-22/h2-12,14,16-17H,13,15,18-19H2,1H3/b16-12-
InChIKeyOODINHXKLXWVSF-VBKFSLOCSA-N
XLogP5.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550812
2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 162244226
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
6-[2-(4-chlorophenyl)ethenyl]-3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 68562272
5-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 69281320
5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455232
4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole
CID 58159616
1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
CID 70260624
2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 13216318
2-benzyl-9-methyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155524557
3,9-dimethyl-6-[(E)-2-phenyl-2-pyridin-4-ylethenyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 59368460
8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 70843060

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 140550828) is 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2/C=C\c2ccccn2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is OODINHXKLXWVSF-VBKFSLOCSA-N. The full InChI is InChI=1S/C26H25N3/c1-20-10-11-25-23(17-20)24-19-28(18-21-7-3-2-4-8-21)15-13-26(24)29(25)16-12-22-9-5-6-14-27-22/h2-12,14,16-17H,13,15,18-19H2,1H3/b16-12-.
What are the key properties of 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 379.51 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methyl-5-[(Z)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 140550828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).