N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide

C41H30F3N9O4 — CID 146264075

IUPACN-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(OCc2ccc(-c3ccc(C(=O)NCc4cc(OCc5ccccc5F)ccc4F)c4ncnn34)cc2F)c1)c1cccn2nnnc12
InChIInChI=1S/C41H30F3N9O4/c42-34-9-2-1-6-27(34)22-57-31-12-14-35(43)29(18-31)21-46-41(55)33-13-15-37(53-38(33)47-24-48-53)26-10-11-28(36(44)19-26)23-56-30-7-3-5-25(17-30)20-45-40(54)32-8-4-16-52-39(32)49-50-51-52/h1-19,24H,20-23H2,(H,45,54)(H,46,55)
InChIKeyBXZVQTJIWXGLOJ-UHFFFAOYSA-N
MW769.74 g/mol
LogP6.27
Rot. Bonds13

About N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide

N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 146264075) has the molecular formula C41H30F3N9O4 and a molecular weight of 769.74 g/mol. Its IUPAC name is N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
PubChem CID146264075
Molecular FormulaC41H30F3N9O4
Molecular Weight769.74 g/mol
Exact Mass769.24
IUPAC NameN-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(OCc2ccc(-c3ccc(C(=O)NCc4cc(OCc5ccccc5F)ccc4F)c4ncnn34)cc2F)c1)c1cccn2nnnc12
InChIInChI=1S/C41H30F3N9O4/c42-34-9-2-1-6-27(34)22-57-31-12-14-35(43)29(18-31)21-46-41(55)33-13-15-37(53-38(33)47-24-48-53)26-10-11-28(36(44)19-26)23-56-30-7-3-5-25(17-30)20-45-40(54)32-8-4-16-52-39(32)49-50-51-52/h1-19,24H,20-23H2,(H,45,54)(H,46,55)
InChIKeyBXZVQTJIWXGLOJ-UHFFFAOYSA-N
XLogP6.27
TPSA149.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.74
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide (CID 146264075) is N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide is O=C(NCc1cccc(OCc2ccc(-c3ccc(C(=O)NCc4cc(OCc5ccccc5F)ccc4F)c4ncnn34)cc2F)c1)c1cccn2nnnc12.
What is the InChIKey of N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is BXZVQTJIWXGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30F3N9O4/c42-34-9-2-1-6-27(34)22-57-31-12-14-35(43)29(18-31)21-46-41(55)33-13-15-37(53-38(33)47-24-48-53)26-10-11-28(36(44)19-26)23-56-30-7-3-5-25(17-30)20-45-40(54)32-8-4-16-52-39(32)49-50-51-52/h1-19,24H,20-23H2,(H,45,54)(H,46,55).
What are the key properties of N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 769.74 g/mol, XLogP of 6.27, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 146264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).