8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one

C25H26N6O — CID 164882863

IUPAC8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one
SMILESCNC1CCN(c2ccc(Nc3ccc(-c4ccncc4)c4cc[nH]c(=O)c34)nc2)CC1
InChIInChI=1S/C25H26N6O/c1-26-18-9-14-31(15-10-18)19-2-5-23(29-16-19)30-22-4-3-20(17-6-11-27-12-7-17)21-8-13-28-25(32)24(21)22/h2-8,11-13,16,18,26H,9-10,14-15H2,1H3,(H,28,32)(H,29,30)
InChIKeyUBZCNRLWZAJQFS-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.92
Rot. Bonds5

About 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one

8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one (PubChem CID 164882863) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one
PubChem CID164882863
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one
SMILESCNC1CCN(c2ccc(Nc3ccc(-c4ccncc4)c4cc[nH]c(=O)c34)nc2)CC1
InChIInChI=1S/C25H26N6O/c1-26-18-9-14-31(15-10-18)19-2-5-23(29-16-19)30-22-4-3-20(17-6-11-27-12-7-17)21-8-13-28-25(32)24(21)22/h2-8,11-13,16,18,26H,9-10,14-15H2,1H3,(H,28,32)(H,29,30)
InChIKeyUBZCNRLWZAJQFS-UHFFFAOYSA-N
XLogP3.92
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one with MolForge

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Related Compounds

7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
CID 164882854
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 175872369
2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882898
2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882741
N-[3-fluoro-4-[4-[[5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882580
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
8-cyclobutyl-N-[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300161
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
2-[2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882438

Frequently Asked Questions

What is the IUPAC name of 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one?
The IUPAC name of 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one (CID 164882863) is 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one?
The canonical SMILES for 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one is CNC1CCN(c2ccc(Nc3ccc(-c4ccncc4)c4cc[nH]c(=O)c34)nc2)CC1.
What is the InChIKey of 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one?
The InChIKey is UBZCNRLWZAJQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-26-18-9-14-31(15-10-18)19-2-5-23(29-16-19)30-22-4-3-20(17-6-11-27-12-7-17)21-8-13-28-25(32)24(21)22/h2-8,11-13,16,18,26H,9-10,14-15H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one?
8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one has a molecular weight of 426.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 164882863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).