N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine

C18H16F3N3 — CID 58064814

IUPACN-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
SMILESFC(F)(F)c1cccc(Nc2ccnc3[nH]c4c(c23)CCCC4)c1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)11-4-3-5-12(10-11)23-15-8-9-22-17-16(15)13-6-1-2-7-14(13)24-17/h3-5,8-10H,1-2,6-7H2,(H2,22,23,24)
InChIKeyMTRUURKSEZJRKT-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.20
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine

N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine (PubChem CID 58064814) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
PubChem CID58064814
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC NameN-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
SMILESFC(F)(F)c1cccc(Nc2ccnc3[nH]c4c(c23)CCCC4)c1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)11-4-3-5-12(10-11)23-15-8-9-22-17-16(15)13-6-1-2-7-14(13)24-17/h3-5,8-10H,1-2,6-7H2,(H2,22,23,24)
InChIKeyMTRUURKSEZJRKT-UHFFFAOYSA-N
XLogP5.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine 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

N-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
CID 58064822
bis[4-[3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroisoquinolin-1-yl]methanone
CID 150970558
1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
CID 141243236
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58564257
2-[3-(trifluoromethyl)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741458
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
CID 13492281
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
CID 126697090
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 50877956

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine (CID 58064814) is N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine is FC(F)(F)c1cccc(Nc2ccnc3[nH]c4c(c23)CCCC4)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The InChIKey is MTRUURKSEZJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c19-18(20,21)11-4-3-5-12(10-11)23-15-8-9-22-17-16(15)13-6-1-2-7-14(13)24-17/h3-5,8-10H,1-2,6-7H2,(H2,22,23,24).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine has a molecular weight of 331.34 g/mol, XLogP of 5.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 58064814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).