N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H18F2N4O2 — CID 41369321

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NCc3ccccc3OC(F)F)cnc21
InChIInChI=1S/C18H18F2N4O2/c1-11(2)24-16-13(10-23-24)7-14(9-21-16)17(25)22-8-12-5-3-4-6-15(12)26-18(19)20/h3-7,9-11,18H,8H2,1-2H3,(H,22,25)
InChIKeyIGMOEBWGJUKKTJ-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.54
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 41369321) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID41369321
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NCc3ccccc3OC(F)F)cnc21
InChIInChI=1S/C18H18F2N4O2/c1-11(2)24-16-13(10-23-24)7-14(9-21-16)17(25)22-8-12-5-3-4-6-15(12)26-18(19)20/h3-7,9-11,18H,8H2,1-2H3,(H,22,25)
InChIKeyIGMOEBWGJUKKTJ-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581720
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46579624
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679770
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 41369321) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)NCc3ccccc3OC(F)F)cnc21.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IGMOEBWGJUKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11(2)24-16-13(10-23-24)7-14(9-21-16)17(25)22-8-12-5-3-4-6-15(12)26-18(19)20/h3-7,9-11,18H,8H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 41369321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).