[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

C26H34FN5O — CID 44622416

IUPAC[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)CC2)ccn1
InChIInChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)
InChIKeySTNAHDQLZLCSLS-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.02
Rot. Bonds4

About [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (PubChem CID 44622416) has the molecular formula C26H34FN5O and a molecular weight of 451.59 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
PubChem CID44622416
Molecular FormulaC26H34FN5O
Molecular Weight451.59 g/mol
Exact Mass451.27
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)CC2)ccn1
InChIInChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)
InChIKeySTNAHDQLZLCSLS-UHFFFAOYSA-N
XLogP3.02
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)piperidin-1-yl]methanone
CID 44622339
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)piperidin-1-yl]methanone
CID 44622342
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
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
CID 46901056
6-[4-(pyridin-2-yl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768525
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129012341
N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridin-4-yl]acetamide
CID 22605927
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44602971
2-[1-[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidine-4-carbonyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 44603096
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)piperidin-1-yl]methanone
CID 44622338
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
CID 44622417
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5-fluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
CID 44622418

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (CID 44622416) is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)CC2)ccn1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The InChIKey is STNAHDQLZLCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29).
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone has a molecular weight of 451.59 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 44622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).