[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone

C23H13F4N7O — CID 5330627

IUPAC[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc2ccc(/C(=C/c3nn[nH]n3)c3c(F)cccc3F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H13F4N7O/c24-13-3-1-4-14(25)19(13)12(9-17-30-32-33-31-17)11-7-8-18-29-23(28)21(34(18)10-11)22(35)20-15(26)5-2-6-16(20)27/h1-10H,28H2,(H,30,31,32,33)/b12-9-
InChIKeySWIJDJBVBQCVKN-XFXZXTDPSA-N
MW479.40 g/mol
LogP3.81
Rot. Bonds5

About [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone

[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone (PubChem CID 5330627) has the molecular formula C23H13F4N7O and a molecular weight of 479.40 g/mol. Its IUPAC name is [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
PubChem CID5330627
Molecular FormulaC23H13F4N7O
Molecular Weight479.40 g/mol
Exact Mass479.11
IUPAC Name[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc2ccc(/C(=C/c3nn[nH]n3)c3c(F)cccc3F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H13F4N7O/c24-13-3-1-4-14(25)19(13)12(9-17-30-32-33-31-17)11-7-8-18-29-23(28)21(34(18)10-11)22(35)20-15(26)5-2-6-16(20)27/h1-10H,28H2,(H,30,31,32,33)/b12-9-
InChIKeySWIJDJBVBQCVKN-XFXZXTDPSA-N
XLogP3.81
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone (CID 5330627) is [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone is Nc1nc2ccc(/C(=C/c3nn[nH]n3)c3c(F)cccc3F)cn2c1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is SWIJDJBVBQCVKN-XFXZXTDPSA-N. The full InChI is InChI=1S/C23H13F4N7O/c24-13-3-1-4-14(25)19(13)12(9-17-30-32-33-31-17)11-7-8-18-29-23(28)21(34(18)10-11)22(35)20-15(26)5-2-6-16(20)27/h1-10H,28H2,(H,30,31,32,33)/b12-9-.
What are the key properties of [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
[2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 479.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(Z)-1-(2,6-difluorophenyl)-2-(2H-tetrazol-5-yl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).