isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C24H22N6O — CID 110093698

IUPACisoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCCC(c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C24H22N6O/c31-24(23-19-7-2-1-5-17(19)10-11-27-23)30-14-4-6-18(16-30)20-8-3-9-21(28-20)29-22-15-25-12-13-26-22/h1-3,5,7-13,15,18H,4,6,14,16H2,(H,26,28,29)
InChIKeyBQYXYKSQPAHWDS-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.18
Rot. Bonds4

About isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110093698) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110093698
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Nameisoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCCC(c2cccc(Nc3cnccn3)n2)C1
InChIInChI=1S/C24H22N6O/c31-24(23-19-7-2-1-5-17(19)10-11-27-23)30-14-4-6-18(16-30)20-8-3-9-21(28-20)29-22-15-25-12-13-26-22/h1-3,5,7-13,15,18H,4,6,14,16H2,(H,26,28,29)
InChIKeyBQYXYKSQPAHWDS-UHFFFAOYSA-N
XLogP4.18
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093931
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842808
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946146
4-(4-fluoro-3-methylphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 125019625
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 110093698) is isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1nccc2ccccc12)N1CCCC(c2cccc(Nc3cnccn3)n2)C1.
What is the InChIKey of isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is BQYXYKSQPAHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-24(23-19-7-2-1-5-17(19)10-11-27-23)30-14-4-6-18(16-30)20-8-3-9-21(28-20)29-22-15-25-12-13-26-22/h1-3,5,7-13,15,18H,4,6,14,16H2,(H,26,28,29).
What are the key properties of isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 410.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110093698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).