trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide

C24H25F3N4O3 — CID 25142573

IUPACtrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(OC(F)(F)F)cccc4c3C2)CC1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1
InChIKeyVGFYFZDIJPOBAY-HZPDHXFCSA-N
MW474.48 g/mol
LogP3.93
Rot. Bonds4

About trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide (PubChem CID 25142573) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide
PubChem CID25142573
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Nametrans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(OC(F)(F)F)cccc4c3C2)CC1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1
InChIKeyVGFYFZDIJPOBAY-HZPDHXFCSA-N
XLogP3.93
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-ethoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142574
(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142440
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142177
4a-Ethyl-1,3,4,4a,5,10,11,11a-octahydro-9-methoxy-2H-pyrido[2,3-b]carbazol-2-one
CID 289509
4-(2-acetyl-8-methoxyspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)butanenitrile
CID 172434589
Hexahydroisoindole-1,3-dione, 2-[2-(2-methyl-5-trifluoromethoxy-1H-indol-3-yl)ethyl]-
CID 4029965
N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 74395057
1-[1'-[(4-fluorophenyl)methyl]-8-methoxyspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl]ethanone
CID 126474048
1-[1-(3-fluorophenyl)-8-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
CID 11631968
1-[1-(2,4-difluorophenyl)-8-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
CID 11653827
1-[1-(3,4-difluorophenyl)-8-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
CID 11689469
(1R,2R)-N-(1-cyanocyclopropyl)-2-(4,4-difluoro-3,5-dioxa-12,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7,10(15)-tetraene-12-carbonyl)cyclohexane-1-carboxamide
CID 25143106

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide (CID 25142573) is trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide is N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(OC(F)(F)F)cccc4c3C2)CC1.
What is the InChIKey of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is VGFYFZDIJPOBAY-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide?
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[6-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25142573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).