5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole

C104H69F13N18 — CID 162192683

IUPAC5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
SMILESCn1c2cc(-c3ccc(F)nc3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.FCCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)F)c3c2)cn1
InChIInChI=1S/C18H11F4N3.C18H12F3N3.C18H13F2N3.C17H11F2N3.C17H12FN3.C16H10FN3/c19-17-4-2-12(8-24-17)11-1-3-13-14-9-23-6-5-15(14)25(16(13)7-11)10-18(20,21)22;19-17(20)10-24-15-5-6-22-9-14(15)13-3-1-11(7-16(13)24)12-2-4-18(21)23-8-12;19-6-8-23-16-5-7-21-11-15(16)14-3-1-12(9-17(14)23)13-2-4-18(20)22-10-13;1-22-15-6-10(11-3-5-16(19)21-7-11)2-4-12(15)13-8-20-9-14(18)17(13)22;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9H,10H2;1-9,17H,10H2;1-5,7,9-11H,6,8H2;2-9H,1H3;2-10H,1H3;1-9,20H
InChIKeyZQNFMYSHEWOIDB-UHFFFAOYSA-N
MW1817.80 g/mol
LogP25.88
Rot. Bonds11

About 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole

5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (PubChem CID 162192683) has the molecular formula C104H69F13N18 and a molecular weight of 1817.80 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
PubChem CID162192683
Molecular FormulaC104H69F13N18
Molecular Weight1817.80 g/mol
Exact Mass1816.57
IUPAC Name5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
SMILESCn1c2cc(-c3ccc(F)nc3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.FCCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)F)c3c2)cn1
InChIInChI=1S/C18H11F4N3.C18H12F3N3.C18H13F2N3.C17H11F2N3.C17H12FN3.C16H10FN3/c19-17-4-2-12(8-24-17)11-1-3-13-14-9-23-6-5-15(14)25(16(13)7-11)10-18(20,21)22;19-17(20)10-24-15-5-6-22-9-14(15)13-3-1-11(7-16(13)24)12-2-4-18(21)23-8-12;19-6-8-23-16-5-7-21-11-15(16)14-3-1-12(9-17(14)23)13-2-4-18(20)22-10-13;1-22-15-6-10(11-3-5-16(19)21-7-11)2-4-12(15)13-8-20-9-14(18)17(13)22;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9H,10H2;1-9,17H,10H2;1-5,7,9-11H,6,8H2;2-9H,1H3;2-10H,1H3;1-9,20H
InChIKeyZQNFMYSHEWOIDB-UHFFFAOYSA-N
XLogP25.88
TPSA195.12 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.80
LogP ≤ 525.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole 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

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
5,10,15,20-Tetrakis(3,5-difluoro-1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetratetrafluoroborate
CID 136219397
5,10,15,20-Tetrakis(2-fluoro-1-methylpyridin-1-ium-3-yl)-21,23-dihydroporphyrin tetratetrafluoroborate
CID 136254474
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,3,5-trifluoro-pyridin-4-yl)-porphyrin
CID 44281436
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-pyridin-4-yl)-porphyrin
CID 44281636
5,10,15,20-Tetrakis[4-(pyridin-1-ium-1-ylmethyl)phenyl]-21,22-dihydroporphyrin tetrabromide
CID 46232303
3-[[5-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035573
3-[[6-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035751
5,15-Bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin tetrachloride
CID 135407668
5-(Pentafluorophenyl)-10,15,20-tris(1-methylpyridinium-4-yl)porphyrin tri-iodide
CID 135482048
5-(1-Methylpyridin-1-ium-3-yl)-10,15,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride
CID 136136564

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The IUPAC name of 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (CID 162192683) is 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is Cn1c2cc(-c3ccc(F)nc3)ccc2c2cncc(F)c21.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.FCCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1.Fc1ccc(-c2ccc3c4cnccc4n(CC(F)F)c3c2)cn1.
What is the InChIKey of 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The InChIKey is ZQNFMYSHEWOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3.C18H12F3N3.C18H13F2N3.C17H11F2N3.C17H12FN3.C16H10FN3/c19-17-4-2-12(8-24-17)11-1-3-13-14-9-23-6-5-15(14)25(16(13)7-11)10-18(20,21)22;19-17(20)10-24-15-5-6-22-9-14(15)13-3-1-11(7-16(13)24)12-2-4-18(21)23-8-12;19-6-8-23-16-5-7-21-11-15(16)14-3-1-12(9-17(14)23)13-2-4-18(20)22-10-13;1-22-15-6-10(11-3-5-16(19)21-7-11)2-4-12(15)13-8-20-9-14(18)17(13)22;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9H,10H2;1-9,17H,10H2;1-5,7,9-11H,6,8H2;2-9H,1H3;2-10H,1H3;1-9,20H.
What are the key properties of 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole has a molecular weight of 1817.80 g/mol, XLogP of 25.88, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is sourced from PubChem (CID 162192683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).