1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide

C21H22FN5O — CID 138586292

IUPAC1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnccn3)ccc2cn1)C1CCN(CCF)CC1
InChIInChI=1S/C21H22FN5O/c22-5-10-27-8-3-15(4-9-27)21(28)26-20-12-18-11-16(1-2-17(18)13-25-20)19-14-23-6-7-24-19/h1-2,6-7,11-15H,3-5,8-10H2,(H,25,26,28)
InChIKeyOBVMJRBLEZUADF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide

1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide (PubChem CID 138586292) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
PubChem CID138586292
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnccn3)ccc2cn1)C1CCN(CCF)CC1
InChIInChI=1S/C21H22FN5O/c22-5-10-27-8-3-15(4-9-27)21(28)26-20-12-18-11-16(1-2-17(18)13-25-20)19-14-23-6-7-24-19/h1-2,6-7,11-15H,3-5,8-10H2,(H,25,26,28)
InChIKeyOBVMJRBLEZUADF-UHFFFAOYSA-N
XLogP3.31
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606157
1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606043
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
N-[1-[4-(2-fluoroethylamino)piperidin-1-yl]ethenyl]-6-pyrazin-2-ylisoquinolin-3-amine
CID 142575437
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
(1R,4R)-5-methyl-N-(6-pyrazin-2-ylisoquinolin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138606111
(3S,4S)-3-fluoro-4-(propan-2-ylamino)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606067
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158091038
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide (CID 138586292) is 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide is O=C(Nc1cc2cc(-c3cnccn3)ccc2cn1)C1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide?
The InChIKey is OBVMJRBLEZUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-5-10-27-8-3-15(4-9-27)21(28)26-20-12-18-11-16(1-2-17(18)13-25-20)19-14-23-6-7-24-19/h1-2,6-7,11-15H,3-5,8-10H2,(H,25,26,28).
What are the key properties of 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide?
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 138586292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).