2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

C20H21F2N3O — CID 73295137

IUPAC2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(F)(F)CN(C)C1
InChIInChI=1S/C20H21F2N3O/c1-13-5-6-17-15(8-13)16-10-24(2)12-20(21,22)19(16)25(17)11-18(26)14-4-3-7-23-9-14/h3-9,18,26H,10-12H2,1-2H3
InChIKeyTYEFNRDZRXIJRF-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.62
Rot. Bonds3

About 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 73295137) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
PubChem CID73295137
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(F)(F)CN(C)C1
InChIInChI=1S/C20H21F2N3O/c1-13-5-6-17-15(8-13)16-10-24(2)12-20(21,22)19(16)25(17)11-18(26)14-4-3-7-23-9-14/h3-9,18,26H,10-12H2,1-2H3
InChIKeyTYEFNRDZRXIJRF-UHFFFAOYSA-N
XLogP3.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (CID 73295137) is 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(F)(F)CN(C)C1.
What is the InChIKey of 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The InChIKey is TYEFNRDZRXIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-13-5-6-17-15(8-13)16-10-24(2)12-20(21,22)19(16)25(17)11-18(26)14-4-3-7-23-9-14/h3-9,18,26H,10-12H2,1-2H3.
What are the key properties of 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 357.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 73295137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).