N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine

C24H30FN3 — CID 167568129

IUPACN-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine
SMILESCCNc1ccc([C@@H]2C3=C(C[C@@H](C)N2CC(C)(C)F)c2ccccc2C3)cn1
InChIInChI=1S/C24H30FN3/c1-5-26-22-11-10-18(14-27-22)23-21-13-17-8-6-7-9-19(17)20(21)12-16(2)28(23)15-24(3,4)25/h6-11,14,16,23H,5,12-13,15H2,1-4H3,(H,26,27)/t16-,23-/m1/s1
InChIKeyFNXZZSVTQCSKAE-WAIKUNEKSA-N
MW379.52 g/mol
LogP5.41
Rot. Bonds5

About N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine

N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine (PubChem CID 167568129) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine
PubChem CID167568129
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC NameN-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine
SMILESCCNc1ccc([C@@H]2C3=C(C[C@@H](C)N2CC(C)(C)F)c2ccccc2C3)cn1
InChIInChI=1S/C24H30FN3/c1-5-26-22-11-10-18(14-27-22)23-21-13-17-8-6-7-9-19(17)20(21)12-16(2)28(23)15-24(3,4)25/h6-11,14,16,23H,5,12-13,15H2,1-4H3,(H,26,27)/t16-,23-/m1/s1
InChIKeyFNXZZSVTQCSKAE-WAIKUNEKSA-N
XLogP5.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine with MolForge

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Related Compounds

(1S,3R)-1-(5-bromo-2-pyridinyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
CID 153051795
(E)-3-[4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenyl]prop-2-enoic acid
CID 148603901
methyl (E)-3-[4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenyl]prop-2-enoate
CID 159367180
(1R,3R)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
CID 161080768
8-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]octan-1-ol
CID 158841731
[2-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]-4-pyridinyl]methanol
CID 158363576
2-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]phenoxy]ethanol
CID 159172635
2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol
CID 164997557
methyl 4-[4-[3-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]propyl]piperazin-1-yl]butanoate
CID 159114495
(1S,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
CID 160578907
ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate
CID 147813656
methyl 4-[5-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]pentyl]benzoate
CID 159536862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine (CID 167568129) is N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine is CCNc1ccc([C@@H]2C3=C(C[C@@H](C)N2CC(C)(C)F)c2ccccc2C3)cn1.
What is the InChIKey of N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine?
The InChIKey is FNXZZSVTQCSKAE-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H30FN3/c1-5-26-22-11-10-18(14-27-22)23-21-13-17-8-6-7-9-19(17)20(21)12-16(2)28(23)15-24(3,4)25/h6-11,14,16,23H,5,12-13,15H2,1-4H3,(H,26,27)/t16-,23-/m1/s1.
What are the key properties of N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine?
N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine has a molecular weight of 379.52 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]pyridin-2-amine is sourced from PubChem (CID 167568129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).