[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol

C21H18N4O — CID 71115125

IUPAC[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol
SMILESCc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-14-7-8-22-12-19(14)16-6-5-15-10-21(23-11-17(15)9-16)25-20-4-2-3-18(13-26)24-20/h2-12,26H,13H2,1H3,(H,23,24,25)
InChIKeyBYDLBOFYBRXPRU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol

[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol (PubChem CID 71115125) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol
PubChem CID71115125
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol
SMILESCc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1
InChIInChI=1S/C21H18N4O/c1-14-7-8-22-12-19(14)16-6-5-15-10-21(23-11-17(15)9-16)25-20-4-2-3-18(13-26)24-20/h2-12,26H,13H2,1H3,(H,23,24,25)
InChIKeyBYDLBOFYBRXPRU-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

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Frequently Asked Questions

What is the IUPAC name of [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol?
The IUPAC name of [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol (CID 71115125) is [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol?
The canonical SMILES for [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol is Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1.
What is the InChIKey of [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol?
The InChIKey is BYDLBOFYBRXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-7-8-22-12-19(14)16-6-5-15-10-21(23-11-17(15)9-16)25-20-4-2-3-18(13-26)24-20/h2-12,26H,13H2,1H3,(H,23,24,25).
What are the key properties of [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol?
[6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-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 [6-[[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-pyridinyl]methanol is sourced from PubChem (CID 71115125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).