4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C19H16N6O — CID 20898378

IUPAC4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21
InChIInChI=1S/C19H16N6O/c1-11-6-4-8-20-17(11)25-13(3)12(2)15-18(25)21-10-24-19(15)22-16(23-24)14-7-5-9-26-14/h4-10H,1-3H3
InChIKeyOGBZZXAFULRLQH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.65
Rot. Bonds2

About 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898378) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898378
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21
InChIInChI=1S/C19H16N6O/c1-11-6-4-8-20-17(11)25-13(3)12(2)15-18(25)21-10-24-19(15)22-16(23-24)14-7-5-9-26-14/h4-10H,1-3H3
InChIKeyOGBZZXAFULRLQH-UHFFFAOYSA-N
XLogP3.65
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

Preladenant
CID 10117987
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
CID 9912318
CID 9912318
Mre 3008-F20
CID 5310960
(11C)Sch 442416
CID 11794633
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 9801343
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-(3-Chlorophenyl)-3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 9910926
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898378) is 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21.
What is the InChIKey of 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is OGBZZXAFULRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-11-6-4-8-20-17(11)25-13(3)12(2)15-18(25)21-10-24-19(15)22-16(23-24)14-7-5-9-26-14/h4-10H,1-3H3.
What are the key properties of 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 344.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-11,12-dimethyl-10-(3-methyl-2-pyridinyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).