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

C23H18ClF2N9O — CID 162721867

IUPAC2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)c(Cl)c2)o1
InChIInChI=1S/C23H18ClF2N9O/c24-16-9-14(22-31-32-23(36-22)19(25)26)4-5-15(16)11-35-33-21(30-34-35)13-3-1-2-12(8-13)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29)
InChIKeyCVWPYDLLFNXGFC-UHFFFAOYSA-N
MW509.91 g/mol
LogP4.07
Rot. Bonds6

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

2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 162721867) has the molecular formula C23H18ClF2N9O and a molecular weight of 509.91 g/mol. Its IUPAC name is 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID162721867
Molecular FormulaC23H18ClF2N9O
Molecular Weight509.91 g/mol
Exact Mass509.13
IUPAC Name2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)c(Cl)c2)o1
InChIInChI=1S/C23H18ClF2N9O/c24-16-9-14(22-31-32-23(36-22)19(25)26)4-5-15(16)11-35-33-21(30-34-35)13-3-1-2-12(8-13)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29)
InChIKeyCVWPYDLLFNXGFC-UHFFFAOYSA-N
XLogP4.07
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.91
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 162721867) is 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)c(Cl)c2)o1.
What is the InChIKey of 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is CVWPYDLLFNXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N9O/c24-16-9-14(22-31-32-23(36-22)19(25)26)4-5-15(16)11-35-33-21(30-34-35)13-3-1-2-12(8-13)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29).
What are the key properties of 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 509.91 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 162721867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).