3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine

C14H9ClFN5 — CID 127048091

IUPAC3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine
SMILESNc1ncc(-n2c3ccc(F)cc3c3[nH]ncc32)cc1Cl
InChIInChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20)
InChIKeyPYSBUBPDECGJSZ-UHFFFAOYSA-N
MW301.71 g/mol
LogP3.28
Rot. Bonds1

About 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine

3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine (PubChem CID 127048091) has the molecular formula C14H9ClFN5 and a molecular weight of 301.71 g/mol. Its IUPAC name is 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine
PubChem CID127048091
Molecular FormulaC14H9ClFN5
Molecular Weight301.71 g/mol
Exact Mass301.05
IUPAC Name3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine
SMILESNc1ncc(-n2c3ccc(F)cc3c3[nH]ncc32)cc1Cl
InChIInChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20)
InChIKeyPYSBUBPDECGJSZ-UHFFFAOYSA-N
XLogP3.28
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
N-(6-chloropyridin-3-yl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 9883254
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine
CID 11509223
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291448
7-Fluoro-4-(7-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-1,4-dihydropyrazolo[4,3-b]indole
CID 73425712
7-Fluoro-4-(pyridin-3-yl)-1,4-dihydropyrazolo[4,3-b]indole
CID 73426249
6,7-difluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
CID 73426250
4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole
CID 73426346
N-(3-chloro-1-ethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198103
US11312712, Example 202
CID 122654423
US11312712, Example 207
CID 122654593

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine (CID 127048091) is 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine is Nc1ncc(-n2c3ccc(F)cc3c3[nH]ncc32)cc1Cl.
What is the InChIKey of 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine?
The InChIKey is PYSBUBPDECGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20).
What are the key properties of 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine?
3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine has a molecular weight of 301.71 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine is sourced from PubChem (CID 127048091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).