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

C61H69Cl2N9O3 — CID 159792916

IUPAC1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN(C)C1
InChIInChI=1S/C21H25N3O.2C20H22ClN3O/c1-15-4-5-19-17(12-15)18-13-23(3)11-8-20(18)24(19)14-21(2,25)16-6-9-22-10-7-16;1-20(25,14-5-8-22-9-6-14)13-24-18-4-3-15(21)11-16(18)17-12-23(2)10-7-19(17)24;1-20(25,14-4-3-8-22-11-14)13-24-18-6-5-15(21)10-16(18)17-12-23(2)9-7-19(17)24/h4-7,9-10,12,25H,8,11,13-14H2,1-3H3;3-6,8-9,11,25H,7,10,12-13H2,1-2H3;3-6,8,10-11,25H,7,9,12-13H2,1-2H3
InChIKeyNIUKEHAZZQCVBW-UHFFFAOYSA-N
MW1047.19 g/mol
LogP10.41
Rot. Bonds9

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

1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 159792916) has the molecular formula C61H69Cl2N9O3 and a molecular weight of 1047.19 g/mol. Its IUPAC name is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
PubChem CID159792916
Molecular FormulaC61H69Cl2N9O3
Molecular Weight1047.19 g/mol
Exact Mass1045.49
IUPAC Name1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN(C)C1
InChIInChI=1S/C21H25N3O.2C20H22ClN3O/c1-15-4-5-19-17(12-15)18-13-23(3)11-8-20(18)24(19)14-21(2,25)16-6-9-22-10-7-16;1-20(25,14-5-8-22-9-6-14)13-24-18-4-3-15(21)11-16(18)17-12-23(2)10-7-19(17)24;1-20(25,14-4-3-8-22-11-14)13-24-18-6-5-15(21)10-16(18)17-12-23(2)9-7-19(17)24/h4-7,9-10,12,25H,8,11,13-14H2,1-3H3;3-6,8-9,11,25H,7,10,12-13H2,1-2H3;3-6,8,10-11,25H,7,9,12-13H2,1-2H3
InChIKeyNIUKEHAZZQCVBW-UHFFFAOYSA-N
XLogP10.41
TPSA123.87 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.19
LogP ≤ 510.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[8-(fluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
CID 71008309
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenyl-1-pyridin-4-ylethanol
CID 50943981
2,8-dimethyl-5-(2-prop-1-en-2-yloxy-2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 118011538
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-phenylpropan-2-ol
CID 59368123
1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;4-methyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-pyridin-3-yl-1-(2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-pyridin-3-yl-1-(2,8,9-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol
CID 162184505
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1,1-diphenylethanol
CID 59455121
[4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 131744244
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol
CID 90088847
2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol
CID 162226668
N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide
CID 73295308
1-(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
CID 59368462
2,9-dimethyl-6-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58159614

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol (CID 159792916) is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol is CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CCN(C)C1.
What is the InChIKey of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol?
The InChIKey is NIUKEHAZZQCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.2C20H22ClN3O/c1-15-4-5-19-17(12-15)18-13-23(3)11-8-20(18)24(19)14-21(2,25)16-6-9-22-10-7-16;1-20(25,14-5-8-22-9-6-14)13-24-18-4-3-15(21)11-16(18)17-12-23(2)10-7-19(17)24;1-20(25,14-4-3-8-22-11-14)13-24-18-6-5-15(21)10-16(18)17-12-23(2)9-7-19(17)24/h4-7,9-10,12,25H,8,11,13-14H2,1-3H3;3-6,8-9,11,25H,7,10,12-13H2,1-2H3;3-6,8,10-11,25H,7,9,12-13H2,1-2H3.
What are the key properties of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol?
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 1047.19 g/mol, XLogP of 10.41, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 159792916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).