N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H17F2N7O2 — CID 44824191

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)c3c(C)noc3n2)n1
InChIInChI=1S/C18H17F2N7O2/c1-3-26-5-4-13(24-26)14-6-12(16-10(2)25-29-18(16)23-14)17(28)22-11-7-21-27(8-11)9-15(19)20/h4-8,15H,3,9H2,1-2H3,(H,22,28)
InChIKeyHAGRCKZOHBNSMF-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.13
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824191) has the molecular formula C18H17F2N7O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824191
Molecular FormulaC18H17F2N7O2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)c3c(C)noc3n2)n1
InChIInChI=1S/C18H17F2N7O2/c1-3-26-5-4-13(24-26)14-6-12(16-10(2)25-29-18(16)23-14)17(28)22-11-7-21-27(8-11)9-15(19)20/h4-8,15H,3,9H2,1-2H3,(H,22,28)
InChIKeyHAGRCKZOHBNSMF-UHFFFAOYSA-N
XLogP3.13
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(ethoxymethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824192
N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824218
6-(1-ethylpyrazol-3-yl)-3-methyl-N-naphthalen-1-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824227
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 98220618
N-(1-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
6-(1-ethylpyrazol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824201
N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824208
6-(1-ethylpyrazol-3-yl)-N,3-diphenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315294
N-(2,2-difluoroethyl)-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315435
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824211
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854841
N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824998

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824191) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)c3c(C)noc3n2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HAGRCKZOHBNSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O2/c1-3-26-5-4-13(24-26)14-6-12(16-10(2)25-29-18(16)23-14)17(28)22-11-7-21-27(8-11)9-15(19)20/h4-8,15H,3,9H2,1-2H3,(H,22,28).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).