CID 155709010

C16H17FN3O3Pb — CID 155709010

IUPAC—
SMILESCC1CC(n2cc(-c3cccc(F)c3)nn2)C2OC([Pb])OCC2O1
InChIInChI=1S/C16H17FN3O3.Pb/c1-10-5-14(16-15(23-10)8-21-9-22-16)20-7-13(18-19-20)11-3-2-4-12(17)6-11;/h2-4,6-7,9-10,14-16H,5,8H2,1H3;
InChIKeyHZGXFCFFRCEWKE-UHFFFAOYSA-N
MW525.53 g/mol
LogP1.67
Rot. Bonds2

About CID 155709010

CID 155709010 (PubChem CID 155709010) has the molecular formula C16H17FN3O3Pb and a molecular weight of 525.53 g/mol.

Molecular Properties

Compound NameCID 155709010
PubChem CID155709010
Molecular FormulaC16H17FN3O3Pb
Molecular Weight525.53 g/mol
Exact Mass526.10
IUPAC Name—
SMILESCC1CC(n2cc(-c3cccc(F)c3)nn2)C2OC([Pb])OCC2O1
InChIInChI=1S/C16H17FN3O3.Pb/c1-10-5-14(16-15(23-10)8-21-9-22-16)20-7-13(18-19-20)11-3-2-4-12(17)6-11;/h2-4,6-7,9-10,14-16H,5,8H2,1H3;
InChIKeyHZGXFCFFRCEWKE-UHFFFAOYSA-N
XLogP1.67
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.53
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(3-fluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 155708987
5-[4-(3-fluorophenyl)triazol-1-yl]oxan-3-amine
CID 157041280
8-[4-(3-fluorophenyl)triazol-1-yl]-7-methoxy-N-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide
CID 175841014
(4aR,6R,7R,8R,8aR)-8-[4-(3-fluorophenyl)triazol-1-yl]-7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 157041238
1-[(4aR,6R,7R,8R,8aR)-7-methoxy-2,2-dimethyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]-4-(3-fluorophenyl)triazole
CID 170691976
(2S,4S)-4-[4-(3-fluorophenyl)triazol-1-yl]pyrrolidine-1,2-dicarboxylic acid
CID 155315493
(2S,4aR,6R,7R,8S,8aR)-8-[4-(3-fluorophenyl)triazol-1-yl]-2-phenyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 142552524
1-[(4aR,8R,8aR)-8-[4-(4-chloro-3,5-difluorophenyl)triazol-1-yl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]ethanone
CID 155201759
methyl (2S,4aR,8R,8aR)-8-[4-(3-fluorophenyl)triazol-1-yl]-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-6-carboxylate
CID 157041299
(2S,4aR,6R,8R,8aR)-2-phenyl-8-[4-(3,4,5-trifluorophenyl)triazol-1-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carbonyl chloride
CID 156682896
methyl (2S,4aR,6R,7R,8S,8aR)-8-[4-(3-fluorophenyl)triazol-1-yl]-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate
CID 168801380
4-[4-(3-fluorophenyl)triazol-1-yl]-2-(hydroxymethyl)-6-[[2-(4-methoxy-N-methylanilino)ethyl-methylamino]methyl]oxan-3-ol
CID 155708992

Frequently Asked Questions

What is the IUPAC name of CID 155709010?
The IUPAC name of CID 155709010 (CID 155709010) is not available.
What is the SMILES notation for CID 155709010?
The canonical SMILES for CID 155709010 is CC1CC(n2cc(-c3cccc(F)c3)nn2)C2OC([Pb])OCC2O1.
What is the InChIKey of CID 155709010?
The InChIKey is HZGXFCFFRCEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN3O3.Pb/c1-10-5-14(16-15(23-10)8-21-9-22-16)20-7-13(18-19-20)11-3-2-4-12(17)6-11;/h2-4,6-7,9-10,14-16H,5,8H2,1H3;.
What are the key properties of CID 155709010?
CID 155709010 has a molecular weight of 525.53 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155709010 is sourced from PubChem (CID 155709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).