(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone

C15H13N5O2 — CID 70711621

IUPAC(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1Cc2ccccc2C(O)C1
InChIInChI=1S/C15H13N5O2/c21-13-9-19(7-10-3-1-2-4-12(10)13)15(22)11-5-6-14-16-17-18-20(14)8-11/h1-6,8,13,21H,7,9H2
InChIKeyYYIMUBZFJLKCDB-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.81
Rot. Bonds1

About (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone

(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 70711621) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID70711621
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1Cc2ccccc2C(O)C1
InChIInChI=1S/C15H13N5O2/c21-13-9-19(7-10-3-1-2-4-12(10)13)15(22)11-5-6-14-16-17-18-20(14)8-11/h1-6,8,13,21H,7,9H2
InChIKeyYYIMUBZFJLKCDB-UHFFFAOYSA-N
XLogP0.81
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848
[4-(2-methoxyphenoxy)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732957
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
CID 96575454
(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 75426017
[4-(3-aminopropoxy)-3-chlorophenyl]-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 125177872
[(3aS,5R,6R,7aR)-5-(4-fluorophenoxy)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 172660583
[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 96572522
(2,6-dimethoxy-3-pyridinyl)-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70774986
[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732499

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone (CID 70711621) is (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone is O=C(c1ccc2nnnn2c1)N1Cc2ccccc2C(O)C1.
What is the InChIKey of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is YYIMUBZFJLKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-13-9-19(7-10-3-1-2-4-12(10)13)15(22)11-5-6-14-16-17-18-20(14)8-11/h1-6,8,13,21H,7,9H2.
What are the key properties of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 295.30 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 70711621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).