isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone

C25H23N5O2 — CID 54670767

IUPACisoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1
InChIInChI=1S/C25H23N5O2/c1-17-16-19(7-10-26-17)22-24(29-13-12-28-22)32-20-8-14-30(15-9-20)25(31)23-21-5-3-2-4-18(21)6-11-27-23/h2-7,10-13,16,20H,8-9,14-15H2,1H3
InChIKeyDJMTWKSQEPSEKR-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.08
Rot. Bonds4

About isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone

isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 54670767) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID54670767
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Nameisoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1
InChIInChI=1S/C25H23N5O2/c1-17-16-19(7-10-26-17)22-24(29-13-12-28-22)32-20-8-14-30(15-9-20)25(31)23-21-5-3-2-4-18(21)6-11-27-23/h2-7,10-13,16,20H,8-9,14-15H2,1H3
InChIKeyDJMTWKSQEPSEKR-UHFFFAOYSA-N
XLogP4.08
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58547975
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
2-methylpropyl 4-(isoquinoline-1-carbonyl)piperazine-1-carboxylate
CID 51130465
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
isoquinolin-1-yl-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 71852203
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]acetonitrile
CID 63336720

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone (CID 54670767) is isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone is Cc1cc(-c2nccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1.
What is the InChIKey of isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is DJMTWKSQEPSEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-16-19(7-10-26-17)22-24(29-13-12-28-22)32-20-8-14-30(15-9-20)25(31)23-21-5-3-2-4-18(21)6-11-27-23/h2-7,10-13,16,20H,8-9,14-15H2,1H3.
What are the key properties of isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 425.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 54670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).