6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C35H29Br2F6N7 — CID 159817496

IUPAC6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESFC(F)(F)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1.FC(F)(F)c1cnc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1
InChIInChI=1S/C18H15BrF3N3.C17H14BrF3N4/c19-11-5-6-14-13(8-11)12-2-1-3-15(17(12)25-14)24-16-7-4-10(9-23-16)18(20,21)22;18-10-4-5-13-12(6-10)11-2-1-3-14(15(11)24-13)25-16-22-7-9(8-23-16)17(19,20)21/h4-9,15,25H,1-3H2,(H,23,24);4-8,14,24H,1-3H2,(H,22,23,25)
InChIKeyNLULTZSQZQNOSY-UHFFFAOYSA-N
MW821.46 g/mol
LogP11.06
Rot. Bonds4

About 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 159817496) has the molecular formula C35H29Br2F6N7 and a molecular weight of 821.46 g/mol. Its IUPAC name is 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID159817496
Molecular FormulaC35H29Br2F6N7
Molecular Weight821.46 g/mol
Exact Mass819.08
IUPAC Name6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESFC(F)(F)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1.FC(F)(F)c1cnc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1
InChIInChI=1S/C18H15BrF3N3.C17H14BrF3N4/c19-11-5-6-14-13(8-11)12-2-1-3-15(17(12)25-14)24-16-7-4-10(9-23-16)18(20,21)22;18-10-4-5-13-12(6-10)11-2-1-3-14(15(11)24-13)25-16-22-7-9(8-23-16)17(19,20)21/h4-9,15,25H,1-3H2,(H,23,24);4-8,14,24H,1-3H2,(H,22,23,25)
InChIKeyNLULTZSQZQNOSY-UHFFFAOYSA-N
XLogP11.06
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.46
LogP ≤ 511.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

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Related Compounds

Meridianin C
CID 10017019
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162667027
6-bromo-N-pyrimidin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11372399
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11385393
6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11451768
(R)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11519795
(R)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11621116
(S)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11713897
(S)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11721124
4-(5-Bromo-1H-Indol-2-Yl)Pyrimidin-2-Amine
CID 11822355
6-bromo-2-N-(1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137645749
6-bromo-4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137651558

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 159817496) is 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is FC(F)(F)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1.FC(F)(F)c1cnc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1.
What is the InChIKey of 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is NLULTZSQZQNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N3.C17H14BrF3N4/c19-11-5-6-14-13(8-11)12-2-1-3-15(17(12)25-14)24-16-7-4-10(9-23-16)18(20,21)22;18-10-4-5-13-12(6-10)11-2-1-3-14(15(11)24-13)25-16-22-7-9(8-23-16)17(19,20)21/h4-9,15,25H,1-3H2,(H,23,24);4-8,14,24H,1-3H2,(H,22,23,25).
What are the key properties of 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 821.46 g/mol, XLogP of 11.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[5-(trifluoromethyl)-2-pyridinyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 159817496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).