N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide

C25H30N6O — CID 138586312

IUPACN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCCCC1
InChIInChI=1S/C25H30N6O/c32-25(17-4-2-1-3-5-17)31-23-13-20-12-18(6-7-19(20)14-28-23)22-15-27-16-24(30-22)29-21-8-10-26-11-9-21/h6-7,12-17,21,26H,1-5,8-11H2,(H,29,30)(H,28,31,32)
InChIKeyYTMGHAZUHBYZHH-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.37
Rot. Bonds5

About N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide

N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide (PubChem CID 138586312) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide
PubChem CID138586312
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCCCC1
InChIInChI=1S/C25H30N6O/c32-25(17-4-2-1-3-5-17)31-23-13-20-12-18(6-7-19(20)14-28-23)22-15-27-16-24(30-22)29-21-8-10-26-11-9-21/h6-7,12-17,21,26H,1-5,8-11H2,(H,29,30)(H,28,31,32)
InChIKeyYTMGHAZUHBYZHH-UHFFFAOYSA-N
XLogP4.37
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide (CID 138586312) is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide is O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCCCC1.
What is the InChIKey of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide?
The InChIKey is YTMGHAZUHBYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c32-25(17-4-2-1-3-5-17)31-23-13-20-12-18(6-7-19(20)14-28-23)22-15-27-16-24(30-22)29-21-8-10-26-11-9-21/h6-7,12-17,21,26H,1-5,8-11H2,(H,29,30)(H,28,31,32).
What are the key properties of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide?
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 138586312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).