3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

C21H16ClF2N5O — CID 26761949

IUPAC3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1
InChIInChI=1S/C21H16ClF2N5O/c22-15-7-13(3-6-16(15)24)20-27-21(30-28-20)19-8-17-18(26-11-25-17)10-29(19)9-12-1-4-14(23)5-2-12/h1-7,11,19H,8-10H2,(H,25,26)/t19-/m0/s1
InChIKeyAQGXVDVPWUMZNM-IBGZPJMESA-N
MW427.84 g/mol
LogP4.69
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (PubChem CID 26761949) has the molecular formula C21H16ClF2N5O and a molecular weight of 427.84 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
PubChem CID26761949
Molecular FormulaC21H16ClF2N5O
Molecular Weight427.84 g/mol
Exact Mass427.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1
InChIInChI=1S/C21H16ClF2N5O/c22-15-7-13(3-6-16(15)24)20-27-21(30-28-20)19-8-17-18(26-11-25-17)10-29(19)9-12-1-4-14(23)5-2-12/h1-7,11,19H,8-10H2,(H,25,26)/t19-/m0/s1
InChIKeyAQGXVDVPWUMZNM-IBGZPJMESA-N
XLogP4.69
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (CID 26761949) is 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The InChIKey is AQGXVDVPWUMZNM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16ClF2N5O/c22-15-7-13(3-6-16(15)24)20-27-21(30-28-20)19-8-17-18(26-11-25-17)10-29(19)9-12-1-4-14(23)5-2-12/h1-7,11,19H,8-10H2,(H,25,26)/t19-/m0/s1.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole has a molecular weight of 427.84 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 26761949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).