10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

C18H17FN4O — CID 159361342

IUPAC10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCOc1cc(-n2c(C(C)C)cc3nc4[nH]ncc4cc32)ccc1F
InChIInChI=1S/C18H17FN4O/c1-10(2)15-8-14-16(6-11-9-20-22-18(11)21-14)23(15)12-4-5-13(19)17(7-12)24-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyLIORJKVVRZOZGI-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.17
Rot. Bonds3

About 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (PubChem CID 159361342) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.

Molecular Properties

Compound Name10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
PubChem CID159361342
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCOc1cc(-n2c(C(C)C)cc3nc4[nH]ncc4cc32)ccc1F
InChIInChI=1S/C18H17FN4O/c1-10(2)15-8-14-16(6-11-9-20-22-18(11)21-14)23(15)12-4-5-13(19)17(7-12)24-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyLIORJKVVRZOZGI-UHFFFAOYSA-N
XLogP4.17
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene with MolForge

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Related Compounds

7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
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Sdccggsk-0000007.P001
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
N-[(E)-benzylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604938
N-[(E)-(2-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604942
N-[(E)-[4-[(dimethylamino)methyl]phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604953
1-(3-methoxyphenyl)-3-propyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604967
1-(3-methoxyphenyl)-3-propan-2-yl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604968
6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44181707
N'-[[4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 44532814

Frequently Asked Questions

What is the IUPAC name of 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The IUPAC name of 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (CID 159361342) is 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.
What is the SMILES notation for 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The canonical SMILES for 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is COc1cc(-n2c(C(C)C)cc3nc4[nH]ncc4cc32)ccc1F.
What is the InChIKey of 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The InChIKey is LIORJKVVRZOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10(2)15-8-14-16(6-11-9-20-22-18(11)21-14)23(15)12-4-5-13(19)17(7-12)24-3/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene has a molecular weight of 324.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluoro-3-methoxyphenyl)-11-propan-2-yl-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is sourced from PubChem (CID 159361342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).