8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C22H24ClFN2 — CID 70971455

IUPAC8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1cc(Cl)ccc1N2CC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClFN2/c1-25-11-8-21-19(13-25)18-12-16(23)4-7-20(18)26(21)14-22(9-10-22)15-2-5-17(24)6-3-15/h2-7,12,19,21H,8-11,13-14H2,1H3
InChIKeyYUFBHFSYIMJJAU-UHFFFAOYSA-N
MW370.90 g/mol
LogP4.82
Rot. Bonds3

About 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 70971455) has the molecular formula C22H24ClFN2 and a molecular weight of 370.90 g/mol. Its IUPAC name is 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID70971455
Molecular FormulaC22H24ClFN2
Molecular Weight370.90 g/mol
Exact Mass370.16
IUPAC Name8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1cc(Cl)ccc1N2CC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClFN2/c1-25-11-8-21-19(13-25)18-12-16(23)4-7-20(18)26(21)14-22(9-10-22)15-2-5-17(24)6-3-15/h2-7,12,19,21H,8-11,13-14H2,1H3
InChIKeyYUFBHFSYIMJJAU-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 70971455) is 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is CN1CCC2C(C1)c1cc(Cl)ccc1N2CC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is YUFBHFSYIMJJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2/c1-25-11-8-21-19(13-25)18-12-16(23)4-7-20(18)26(21)14-22(9-10-22)15-2-5-17(24)6-3-15/h2-7,12,19,21H,8-11,13-14H2,1H3.
What are the key properties of 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 370.90 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 70971455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).