N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

C24H24FN7O2 — CID 121249935

IUPACN-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)o1
InChIInChI=1S/C24H24FN7O2/c1-13(2)23-31-32-24(34-23)22(33)28-12-16-4-3-15(11-18(16)25)17-7-10-27-21-19(17)29-20(30-21)14-5-8-26-9-6-14/h3-5,7,10-11,13,26H,6,8-9,12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyMKYZOCYBPONSKG-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249935) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID121249935
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)o1
InChIInChI=1S/C24H24FN7O2/c1-13(2)23-31-32-24(34-23)22(33)28-12-16-4-3-15(11-18(16)25)17-7-10-27-21-19(17)29-20(30-21)14-5-8-26-9-6-14/h3-5,7,10-11,13,26H,6,8-9,12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyMKYZOCYBPONSKG-UHFFFAOYSA-N
XLogP3.58
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 121249935) is N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is CC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)o1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MKYZOCYBPONSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-13(2)23-31-32-24(34-23)22(33)28-12-16-4-3-15(11-18(16)25)17-7-10-27-21-19(17)29-20(30-21)14-5-8-26-9-6-14/h3-5,7,10-11,13,26H,6,8-9,12H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).