7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol

C20H15N3O — CID 123821042

IUPAC7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol
SMILESOc1c2c3n(c1CC2)Cc1ccc(C#Cc2ccccn2)cc1N3
InChIInChI=1S/C20H15N3O/c24-19-16-8-9-18(19)23-12-14-6-4-13(11-17(14)22-20(16)23)5-7-15-3-1-2-10-21-15/h1-4,6,10-11,22,24H,8-9,12H2
InChIKeyKERSKVXKFASGEU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.19
Rot. Bonds

About 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol

7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol (PubChem CID 123821042) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol.

Molecular Properties

Compound Name7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol
PubChem CID123821042
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol
SMILESOc1c2c3n(c1CC2)Cc1ccc(C#Cc2ccccn2)cc1N3
InChIInChI=1S/C20H15N3O/c24-19-16-8-9-18(19)23-12-14-6-4-13(11-17(14)22-20(16)23)5-7-15-3-1-2-10-21-15/h1-4,6,10-11,22,24H,8-9,12H2
InChIKeyKERSKVXKFASGEU-UHFFFAOYSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol with MolForge

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-fluoro-5-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 122631379
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CID 125483767
8-methyl-3-(2-pyridin-2-ylethynyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 123712483
(1'S,4R,10'R)-5'-(2-pyridin-2-ylethynyl)-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 10434432
6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 58574855
N'-hydroxy-4-(2-pyridin-2-ylethynyl)benzenecarboximidamide
CID 123501344
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
8-hydroxy-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 58574163
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539689
8-cyclopropyl-8-methyl-3-(2-pyridin-2-ylethynyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 90249508
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
(5-bromo-1,3-dihydroisoindol-2-yl)-[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 46945590

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol?
The IUPAC name of 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol (CID 123821042) is 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol.
What is the SMILES notation for 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol?
The canonical SMILES for 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol is Oc1c2c3n(c1CC2)Cc1ccc(C#Cc2ccccn2)cc1N3.
What is the InChIKey of 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol?
The InChIKey is KERSKVXKFASGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-19-16-8-9-18(19)23-12-14-6-4-13(11-17(14)22-20(16)23)5-7-15-3-1-2-10-21-15/h1-4,6,10-11,22,24H,8-9,12H2.
What are the key properties of 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol?
7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol has a molecular weight of 313.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-2-ylethynyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(15),4(9),5,7,11-pentaen-15-ol is sourced from PubChem (CID 123821042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).