1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol

C20H22ClN3O — CID 53373020

IUPAC1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CNCC2
InChIInChI=1S/C20H22ClN3O/c1-20(25,14-4-3-6-22-11-14)10-13-8-15(21)9-16-17-12-23-7-5-18(17)24(2)19(13)16/h3-4,6,8-9,11,23,25H,5,7,10,12H2,1-2H3
InChIKeyFLYXMYDOFKVILW-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.32
Rot. Bonds3

About 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol

1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 53373020) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID53373020
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CNCC2
InChIInChI=1S/C20H22ClN3O/c1-20(25,14-4-3-6-22-11-14)10-13-8-15(21)9-16-17-12-23-7-5-18(17)24(2)19(13)16/h3-4,6,8-9,11,23,25H,5,7,10,12H2,1-2H3
InChIKeyFLYXMYDOFKVILW-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol (CID 53373020) is 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol is Cn1c2c(c3cc(Cl)cc(CC(C)(O)c4cccnc4)c31)CNCC2.
What is the InChIKey of 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is FLYXMYDOFKVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-20(25,14-4-3-6-22-11-14)10-13-8-15(21)9-16-17-12-23-7-5-18(17)24(2)19(13)16/h3-4,6,8-9,11,23,25H,5,7,10,12H2,1-2H3.
What are the key properties of 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol?
1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 355.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 53373020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).