2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H24N4 — CID 53373562

IUPAC2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccccc2-c2cnn(C)c2)CCN(C)C1
InChIInChI=1S/C23H24N4/c1-16-8-9-22-19(12-16)20-15-25(2)11-10-23(20)27(22)21-7-5-4-6-18(21)17-13-24-26(3)14-17/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeySSYUGSRVNKBPAD-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.33
Rot. Bonds2

About 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 53373562) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID53373562
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccccc2-c2cnn(C)c2)CCN(C)C1
InChIInChI=1S/C23H24N4/c1-16-8-9-22-19(12-16)20-15-25(2)11-10-23(20)27(22)21-7-5-4-6-18(21)17-13-24-26(3)14-17/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeySSYUGSRVNKBPAD-UHFFFAOYSA-N
XLogP4.33
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67379209
5-(2,6-dimethyl-4-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 53371847
2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 71007872
5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67378834
5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 70863040
2,8-dimethyl-5-[3-(4-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 53371848
4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide
CID 71007712
5-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 90293996
5-[(E)-2-fluoro-1,2-diphenylethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455193
[4-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propyl]phenyl]phosphane
CID 70843063
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
[2-(difluoromethyl)pyrazol-3-yl]-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methanone
CID 3461480

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 53373562) is 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2-c2ccccc2-c2cnn(C)c2)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is SSYUGSRVNKBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-8-9-22-19(12-16)20-15-25(2)11-10-23(20)27(22)21-7-5-4-6-18(21)17-13-24-26(3)14-17/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 356.47 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[2-(1-methylpyrazol-4-yl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 53373562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).