2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline

C17H18F2N4 — CID 164593372

IUPAC2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline
SMILESCC(C)n1cc2ncc(CCc3c(F)ccc(N)c3F)cc2n1
InChIInChI=1S/C17H18F2N4/c1-10(2)23-9-16-15(22-23)7-11(8-21-16)3-4-12-13(18)5-6-14(20)17(12)19/h5-10H,3-4,20H2,1-2H3
InChIKeyAZJVJQACATVCKM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.66
Rot. Bonds4

About 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline

2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline (PubChem CID 164593372) has the molecular formula C17H18F2N4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline
PubChem CID164593372
Molecular FormulaC17H18F2N4
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline
SMILESCC(C)n1cc2ncc(CCc3c(F)ccc(N)c3F)cc2n1
InChIInChI=1S/C17H18F2N4/c1-10(2)23-9-16-15(22-23)7-11(8-21-16)3-4-12-13(18)5-6-14(20)17(12)19/h5-10H,3-4,20H2,1-2H3
InChIKeyAZJVJQACATVCKM-UHFFFAOYSA-N
XLogP3.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline
CID 164593640
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
2-(2-propan-2-ylindazol-5-yl)ethanamine
CID 84721669
6-chloro-2-propan-2-ylindazole
CID 84720409
6-(2-methylpropyl)-2-propan-2-ylindazole
CID 155051024
2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]aniline
CID 171465835
2,4-difluoro-3-(3,3,3-trifluoropropyl)aniline
CID 134441896
3-fluoro-2-methyl-4-(1-propan-2-ylpyrazol-4-yl)aniline
CID 171906281
2,5-di(propan-2-yl)pyrazolo[4,3-b]pyridine
CID 177260557
4-fluoro-3-(4-propan-2-ylimidazol-1-yl)aniline
CID 82512745
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline?
The IUPAC name of 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline (CID 164593372) is 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline.
What is the SMILES notation for 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline?
The canonical SMILES for 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline is CC(C)n1cc2ncc(CCc3c(F)ccc(N)c3F)cc2n1.
What is the InChIKey of 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline?
The InChIKey is AZJVJQACATVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4/c1-10(2)23-9-16-15(22-23)7-11(8-21-16)3-4-12-13(18)5-6-14(20)17(12)19/h5-10H,3-4,20H2,1-2H3.
What are the key properties of 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline?
2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline has a molecular weight of 316.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline is sourced from PubChem (CID 164593372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).