2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole

C22H18F2N10O — CID 162722127

IUPAC2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)nc2)o1
InChIInChI=1S/C22H18F2N10O/c23-18(24)22-31-30-21(35-22)14-4-5-15(26-9-14)11-34-32-20(29-33-34)13-3-1-2-12(8-13)19-27-16-6-7-25-10-17(16)28-19/h1-5,8-9,18,25H,6-7,10-11H2,(H,27,28)
InChIKeyXMQUTLMCBXHACO-UHFFFAOYSA-N
MW476.45 g/mol
LogP2.81
Rot. Bonds6

About 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162722127) has the molecular formula C22H18F2N10O and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162722127
Molecular FormulaC22H18F2N10O
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Name2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)nc2)o1
InChIInChI=1S/C22H18F2N10O/c23-18(24)22-31-30-21(35-22)14-4-5-15(26-9-14)11-34-32-20(29-33-34)13-3-1-2-12(8-13)19-27-16-6-7-25-10-17(16)28-19/h1-5,8-9,18,25H,6-7,10-11H2,(H,27,28)
InChIKeyXMQUTLMCBXHACO-UHFFFAOYSA-N
XLogP2.81
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162722127) is 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XMQUTLMCBXHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N10O/c23-18(24)22-31-30-21(35-22)14-4-5-15(26-9-14)11-34-32-20(29-33-34)13-3-1-2-12(8-13)19-27-16-6-7-25-10-17(16)28-19/h1-5,8-9,18,25H,6-7,10-11H2,(H,27,28).
What are the key properties of 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 476.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).