[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol

C21H18N4O — CID 67974818

IUPAC[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
SMILESCc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-14-4-6-22-12-19(14)17-3-2-16-10-21(24-11-18(16)9-17)25-20-8-15(13-26)5-7-23-20/h2-12,26H,13H2,1H3,(H,23,24,25)
InChIKeyDBMYDXZBGMGPNE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol

[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol (PubChem CID 67974818) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
PubChem CID67974818
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
SMILESCc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-14-4-6-22-12-19(14)17-3-2-16-10-21(24-11-18(16)9-17)25-20-8-15(13-26)5-7-23-20/h2-12,26H,13H2,1H3,(H,23,24,25)
InChIKeyDBMYDXZBGMGPNE-UHFFFAOYSA-N
XLogP4.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol with MolForge

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Related Compounds

1-(3-Hydroxypropylamino-3-(2-methylaminopyridin-4-yl)[2,6]-naphthyridine
CID 25020248
2-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-ylamino]ethanol
CID 25020305
3-(3-Pyridin-4-yl[2,6]naphthyridin-1-ylamino)propan-1-ol
CID 46899547
N-[7-[5-(1-hydroxyethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410976
N-[7-[5-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410980
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-(7-(6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095262
N-[7-[5-(hydroxymethyl)-2-methylphenyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71114966
[6-[[7-(4-Methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol
CID 71115125
[2-[[7-(5-Fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
CID 71115162
N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115343
N-[7-[5-(hydroxymethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115363

Frequently Asked Questions

What is the IUPAC name of [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol (CID 67974818) is [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol is Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1.
What is the InChIKey of [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The InChIKey is DBMYDXZBGMGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-4-6-22-12-19(14)17-3-2-16-10-21(24-11-18(16)9-17)25-20-8-15(13-26)5-7-23-20/h2-12,26H,13H2,1H3,(H,23,24,25).
What are the key properties of [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
[2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol has a molecular weight of 342.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 67974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).