4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline

C15H16FN4P — CID 164593640

IUPAC4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline
SMILESCn1ncc2ncc(CCc3c(F)ccc(N)c3P)cc21
InChIInChI=1S/C15H16FN4P/c1-20-14-6-9(7-18-13(14)8-19-20)2-3-10-11(16)4-5-12(17)15(10)21/h4-8H,2-3,17,21H2,1H3
InChIKeyGFQYOGQYOXIDJT-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline

4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline (PubChem CID 164593640) has the molecular formula C15H16FN4P and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline.

Molecular Properties

Compound Name4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline
PubChem CID164593640
Molecular FormulaC15H16FN4P
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline
SMILESCn1ncc2ncc(CCc3c(F)ccc(N)c3P)cc21
InChIInChI=1S/C15H16FN4P/c1-20-14-6-9(7-18-13(14)8-19-20)2-3-10-11(16)4-5-12(17)15(10)21/h4-8H,2-3,17,21H2,1H3
InChIKeyGFQYOGQYOXIDJT-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]aniline
CID 171465835
2,4-difluoro-3-[2-(2-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl)ethyl]aniline
CID 164593372
5,6-difluoro-1-methylindazole
CID 159529872
4-fluoro-1-methylindazol-5-amine
CID 84652063
3-[2-(1-ethylpyrazolo[4,5-b]pyridin-6-yl)ethynyl]-2,4-difluoroaniline
CID 171465908
5-chloro-N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 171465893
2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
CID 19620145
N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine
CID 59514098
1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
CID 166366462
6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine
CID 86699853
6-ethyl-5-fluoro-1-methylindazole
CID 89250991
3-fluoro-5-methylquinolin-6-amine
CID 166948139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline?
The IUPAC name of 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline (CID 164593640) is 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline.
What is the SMILES notation for 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline?
The canonical SMILES for 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline is Cn1ncc2ncc(CCc3c(F)ccc(N)c3P)cc21.
What is the InChIKey of 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline?
The InChIKey is GFQYOGQYOXIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN4P/c1-20-14-6-9(7-18-13(14)8-19-20)2-3-10-11(16)4-5-12(17)15(10)21/h4-8H,2-3,17,21H2,1H3.
What are the key properties of 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline?
4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline has a molecular weight of 302.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-(1-methylpyrazolo[4,5-b]pyridin-6-yl)ethyl]-2-phosphanylaniline is sourced from PubChem (CID 164593640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).