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

C21H23F2N3O — CID 71008271

IUPAC1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(F)(F)CN(C)C1
InChIInChI=1S/C21H23F2N3O/c1-14-6-7-18-16(9-14)17-11-25(3)13-21(22,23)19(17)26(18)12-20(2,27)15-5-4-8-24-10-15/h4-10,27H,11-13H2,1-3H3
InChIKeyNNPNWQRNLTWYHH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.79
Rot. Bonds3

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

1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 71008271) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID71008271
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(F)(F)CN(C)C1
InChIInChI=1S/C21H23F2N3O/c1-14-6-7-18-16(9-14)17-11-25(3)13-21(22,23)19(17)26(18)12-20(2,27)15-5-4-8-24-10-15/h4-10,27H,11-13H2,1-3H3
InChIKeyNNPNWQRNLTWYHH-UHFFFAOYSA-N
XLogP3.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol with MolForge

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Related Compounds

1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
2'-(1,5-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176173
[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
2-[5-(5-Methylindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252812
2-[5-[5-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252814
(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
CID 90252850
(2R)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
CID 90252852
2-[5-[3-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252957
US10660877, Example 19
CID 134329650
US10660877, Example 22
CID 134329793

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol (CID 71008271) is 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(F)(F)CN(C)C1.
What is the InChIKey of 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is NNPNWQRNLTWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-14-6-7-18-16(9-14)17-11-25(3)13-21(22,23)19(17)26(18)12-20(2,27)15-5-4-8-24-10-15/h4-10,27H,11-13H2,1-3H3.
What are the key properties of 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol?
1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 371.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 71008271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).