methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol

C22H27N3O — CID 160704557

IUPACmethane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol
SMILESC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CN2CCC1C2
InChIInChI=1S/C21H23N3O.CH4/c1-14-2-3-18-17(10-14)21-16-6-9-23(11-16)12-19(21)24(18)13-20(25)15-4-7-22-8-5-15;/h2-5,7-8,10,16,20,25H,6,9,11-13H2,1H3;1H4
InChIKeyRRAZXWYEBHGCCZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.02
Rot. Bonds3

About methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol

methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol (PubChem CID 160704557) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Namemethane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol
PubChem CID160704557
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namemethane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol
SMILESC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CN2CCC1C2
InChIInChI=1S/C21H23N3O.CH4/c1-14-2-3-18-17(10-14)21-16-6-9-23(11-16)12-19(21)24(18)13-20(25)15-4-7-22-8-5-15;/h2-5,7-8,10,16,20,25H,6,9,11-13H2,1H3;1H4
InChIKeyRRAZXWYEBHGCCZ-UHFFFAOYSA-N
XLogP4.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol?
The IUPAC name of methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol (CID 160704557) is methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol is C.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CN2CCC1C2.
What is the InChIKey of methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol?
The InChIKey is RRAZXWYEBHGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.CH4/c1-14-2-3-18-17(10-14)21-16-6-9-23(11-16)12-19(21)24(18)13-20(25)15-4-7-22-8-5-15;/h2-5,7-8,10,16,20,25H,6,9,11-13H2,1H3;1H4.
What are the key properties of methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol?
methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol has a molecular weight of 349.48 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 160704557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).