N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

C24H17FN8O — CID 171803530

IUPACN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cc(-c2ccnc3nc(-c4cn[nH]c4)[nH]c23)ccc1CNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17FN8O/c25-19-10-15(18-8-9-26-22-20(18)30-21(31-22)17-12-28-29-13-17)6-7-16(19)11-27-24-33-32-23(34-24)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,33)(H,28,29)(H,26,30,31)
InChIKeyXBOPHXWTQZGUEJ-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.82
Rot. Bonds6

About N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 171803530) has the molecular formula C24H17FN8O and a molecular weight of 452.45 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID171803530
Molecular FormulaC24H17FN8O
Molecular Weight452.45 g/mol
Exact Mass452.15
IUPAC NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cc(-c2ccnc3nc(-c4cn[nH]c4)[nH]c23)ccc1CNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17FN8O/c25-19-10-15(18-8-9-26-22-20(18)30-21(31-22)17-12-28-29-13-17)6-7-16(19)11-27-24-33-32-23(34-24)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,33)(H,28,29)(H,26,30,31)
InChIKeyXBOPHXWTQZGUEJ-UHFFFAOYSA-N
XLogP4.82
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
4-[4-[5-[Imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
CID 156596358
N-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 156596359
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
US11098041, Example 8
CID 121249706
N-methyl-5-[4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3,4-oxadiazol-2-amine
CID 44449479
N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164608966
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164609687
N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 164610126
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(2,3,5-trimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164610821
5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164612226
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(2-methyl-3-pyridinyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164613928

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 171803530) is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is Fc1cc(-c2ccnc3nc(-c4cn[nH]c4)[nH]c23)ccc1CNc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XBOPHXWTQZGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN8O/c25-19-10-15(18-8-9-26-22-20(18)30-21(31-22)17-12-28-29-13-17)6-7-16(19)11-27-24-33-32-23(34-24)14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,27,33)(H,28,29)(H,26,30,31).
What are the key properties of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 452.45 g/mol, XLogP of 4.82, 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-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 171803530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).