5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H23N3 — CID 70863040

IUPAC5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(C3CC3)nc2)CCN(C)C1
InChIInChI=1S/C21H23N3/c1-14-3-8-20-17(11-14)18-13-23(2)10-9-21(18)24(20)16-6-7-19(22-12-16)15-4-5-15/h3,6-8,11-12,15H,4-5,9-10,13H2,1-2H3
InChIKeyYQVYHRBGBKPIAO-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.20
Rot. Bonds2

About 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 70863040) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID70863040
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(C3CC3)nc2)CCN(C)C1
InChIInChI=1S/C21H23N3/c1-14-3-8-20-17(11-14)18-13-23(2)10-9-21(18)24(20)16-6-7-19(22-12-16)15-4-5-15/h3,6-8,11-12,15H,4-5,9-10,13H2,1-2H3
InChIKeyYQVYHRBGBKPIAO-UHFFFAOYSA-N
XLogP4.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 70863040) is 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2-c2ccc(C3CC3)nc2)CCN(C)C1.
What is the InChIKey of 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is YQVYHRBGBKPIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-14-3-8-20-17(11-14)18-13-23(2)10-9-21(18)24(20)16-6-7-19(22-12-16)15-4-5-15/h3,6-8,11-12,15H,4-5,9-10,13H2,1-2H3.
What are the key properties of 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 317.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-3-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 70863040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).