[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

C15H15F2N7O2 — CID 139369508

IUPAC[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1nc2nonc2c(N)c1Cn1ccc(C(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C15H15F2N7O2/c1-8-9(11(18)12-13(19-8)22-26-21-12)6-24-4-2-10(20-24)14(25)23-5-3-15(16,17)7-23/h2,4H,3,5-7,18H2,1H3
InChIKeyFFMCFMVMQWTCMC-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.23
Rot. Bonds3

About [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone

[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 139369508) has the molecular formula C15H15F2N7O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID139369508
Molecular FormulaC15H15F2N7O2
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Name[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1nc2nonc2c(N)c1Cn1ccc(C(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C15H15F2N7O2/c1-8-9(11(18)12-13(19-8)22-26-21-12)6-24-4-2-10(20-24)14(25)23-5-3-15(16,17)7-23/h2,4H,3,5-7,18H2,1H3
InChIKeyFFMCFMVMQWTCMC-UHFFFAOYSA-N
XLogP1.23
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 139369508) is [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is Cc1nc2nonc2c(N)c1Cn1ccc(C(=O)N2CCC(F)(F)C2)n1.
What is the InChIKey of [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is FFMCFMVMQWTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O2/c1-8-9(11(18)12-13(19-8)22-26-21-12)6-24-4-2-10(20-24)14(25)23-5-3-15(16,17)7-23/h2,4H,3,5-7,18H2,1H3.
What are the key properties of [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 363.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 139369508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).