2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C16H10ClF2N5O — CID 155388907

IUPAC2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(Cl)c4)cc32)o1
InChIInChI=1S/C16H10ClF2N5O/c1-8-21-22-14(25-8)7-24-13-5-10(6-20-15(13)16(19)23-24)9-2-3-12(18)11(17)4-9/h2-6H,7H2,1H3
InChIKeyLCLPCLJQYOUKHT-UHFFFAOYSA-N
MW361.74 g/mol
LogP3.77
Rot. Bonds3

About 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155388907) has the molecular formula C16H10ClF2N5O and a molecular weight of 361.74 g/mol. Its IUPAC name is 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155388907
Molecular FormulaC16H10ClF2N5O
Molecular Weight361.74 g/mol
Exact Mass361.05
IUPAC Name2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(Cl)c4)cc32)o1
InChIInChI=1S/C16H10ClF2N5O/c1-8-21-22-14(25-8)7-24-13-5-10(6-20-15(13)16(19)23-24)9-2-3-12(18)11(17)4-9/h2-6H,7H2,1H3
InChIKeyLCLPCLJQYOUKHT-UHFFFAOYSA-N
XLogP3.77
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 91651316
2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155387043
6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one
CID 140869574
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240125
2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
CID 164658936
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389203
[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid
CID 155389904
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399899
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine
CID 174438769
2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 162416554

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155388907) is 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(Cl)c4)cc32)o1.
What is the InChIKey of 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is LCLPCLJQYOUKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N5O/c1-8-21-22-14(25-8)7-24-13-5-10(6-20-15(13)16(19)23-24)9-2-3-12(18)11(17)4-9/h2-6H,7H2,1H3.
What are the key properties of 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 361.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155388907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).