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

C23H26N6O — CID 138586342

IUPACN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCC1
InChIInChI=1S/C23H26N6O/c30-23(15-2-1-3-15)29-21-11-18-10-16(4-5-17(18)12-26-21)20-13-25-14-22(28-20)27-19-6-8-24-9-7-19/h4-5,10-15,19,24H,1-3,6-9H2,(H,27,28)(H,26,29,30)
InChIKeyAEGNZEQWXAQEME-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds5

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

N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide (PubChem CID 138586342) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
PubChem CID138586342
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCC1
InChIInChI=1S/C23H26N6O/c30-23(15-2-1-3-15)29-21-11-18-10-16(4-5-17(18)12-26-21)20-13-25-14-22(28-20)27-19-6-8-24-9-7-19/h4-5,10-15,19,24H,1-3,6-9H2,(H,27,28)(H,26,29,30)
InChIKeyAEGNZEQWXAQEME-UHFFFAOYSA-N
XLogP3.59
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590652
N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
CID 138588021
3-ethenyl-1,1-difluorocyclobutane;N-methyl-6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-amine
CID 142575321
4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265
4-fluoro-N-[6-[6-[[(3S)-3-fluoropiperidin-4-yl]amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 142575557
N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71220844
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
(E)-3-[3-[6-(cyclohexylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 143631250
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide (CID 138586342) is N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide is O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ccc2cn1)C1CCC1.
What is the InChIKey of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide?
The InChIKey is AEGNZEQWXAQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-23(15-2-1-3-15)29-21-11-18-10-16(4-5-17(18)12-26-21)20-13-25-14-22(28-20)27-19-6-8-24-9-7-19/h4-5,10-15,19,24H,1-3,6-9H2,(H,27,28)(H,26,29,30).
What are the key properties of N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide?
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.59, 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]cyclobutanecarboxamide is sourced from PubChem (CID 138586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).