1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone

C27H34FN5O2 — CID 156793143

IUPAC1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)c(F)cn2)CC1
InChIInChI=1S/C27H34FN5O2/c1-19(34)31-12-7-22(8-13-31)30-26-16-24(25(28)17-29-26)27(35)32-14-9-23(10-15-32)33-11-6-20-4-2-3-5-21(20)18-33/h2-5,16-17,22-23H,6-15,18H2,1H3,(H,29,30)
InChIKeyAMXHLAFVDSPFMP-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.31
Rot. Bonds4

About 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone

1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 156793143) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID156793143
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC Name1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)c(F)cn2)CC1
InChIInChI=1S/C27H34FN5O2/c1-19(34)31-12-7-22(8-13-31)30-26-16-24(25(28)17-29-26)27(35)32-14-9-23(10-15-32)33-11-6-20-4-2-3-5-21(20)18-33/h2-5,16-17,22-23H,6-15,18H2,1H3,(H,29,30)
InChIKeyAMXHLAFVDSPFMP-UHFFFAOYSA-N
XLogP3.31
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

Gsk591
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CID 44622339
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
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CID 10025040
N-[(2R,4aS,6S,8aR)-6-(4-Pyridin-2-yl-piperazin-1-yl)-decahydro-naphthalen-2-yl]-benzamide
CID 10047648
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 156793143) is 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)c(F)cn2)CC1.
What is the InChIKey of 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is AMXHLAFVDSPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-19(34)31-12-7-22(8-13-31)30-26-16-24(25(28)17-29-26)27(35)32-14-9-23(10-15-32)33-11-6-20-4-2-3-5-21(20)18-33/h2-5,16-17,22-23H,6-15,18H2,1H3,(H,29,30).
What are the key properties of 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 479.60 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 156793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).