[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol

C22H19N5O — CID 123503951

IUPAC[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1
InChIInChI=1S/C22H19N5O/c28-14-15-3-6-17(7-4-15)20-9-10-21-22(24-20)27(26-25-21)13-16-5-8-19-18(12-16)2-1-11-23-19/h1-10,12,23,28H,11,13-14H2
InChIKeyJKHTXLSARZAZDG-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.47
Rot. Bonds4

About [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol

[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol (PubChem CID 123503951) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
PubChem CID123503951
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1
InChIInChI=1S/C22H19N5O/c28-14-15-3-6-17(7-4-15)20-9-10-21-22(24-20)27(26-25-21)13-16-5-8-19-18(12-16)2-1-11-23-19/h1-10,12,23,28H,11,13-14H2
InChIKeyJKHTXLSARZAZDG-UHFFFAOYSA-N
XLogP3.47
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(1-Hydroxypropyl)-phenyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]quinolin-4-amine
CID 44446745
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
(1-Methoxymethyl-2-phenyl-ethyl)-[5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-amine
CID 10764399
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
[4-[4-[3-Ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]phenyl]methanol
CID 137641548
[4-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155527495
[4-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155555121
[4-[3-(1H-indol-3-ylmethyl)-6-phenyl-1,2,4-triazin-5-yl]phenyl]methanol
CID 168271441
[4-[3-(1H-indol-3-ylmethyl)-5-phenyl-1,2,4-triazin-6-yl]phenyl]methanol
CID 168289426

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol (CID 123503951) is [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol is OCc1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1.
What is the InChIKey of [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The InChIKey is JKHTXLSARZAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-14-15-3-6-17(7-4-15)20-9-10-21-22(24-20)27(26-25-21)13-16-5-8-19-18(12-16)2-1-11-23-19/h1-10,12,23,28H,11,13-14H2.
What are the key properties of [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
[4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol has a molecular weight of 369.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol is sourced from PubChem (CID 123503951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).