2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol

C21H25N3O — CID 71007544

IUPAC2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN(C)C1
InChIInChI=1S/C21H25N3O/c1-14-4-5-19-17(12-14)18-13-23(3)11-8-20(18)24(19)15(2)21(25)16-6-9-22-10-7-16/h4-7,9-10,12,15,21,25H,8,11,13H2,1-3H3
InChIKeyYJPFMAASWVUHFM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.63
Rot. Bonds3

About 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 71007544) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
PubChem CID71007544
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN(C)C1
InChIInChI=1S/C21H25N3O/c1-14-4-5-19-17(12-14)18-13-23(3)11-8-20(18)24(19)15(2)21(25)16-6-9-22-10-7-16/h4-7,9-10,12,15,21,25H,8,11,13H2,1-3H3
InChIKeyYJPFMAASWVUHFM-UHFFFAOYSA-N
XLogP3.63
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol (CID 71007544) is 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol is Cc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN(C)C1.
What is the InChIKey of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is YJPFMAASWVUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-4-5-19-17(12-14)18-13-23(3)11-8-20(18)24(19)15(2)21(25)16-6-9-22-10-7-16/h4-7,9-10,12,15,21,25H,8,11,13H2,1-3H3.
What are the key properties of 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 335.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 71007544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).