N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine

C17H15FN6 — CID 134192016

IUPACN-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(C2CC2)c2ccc(Nc3n[nH]c4cc(F)cnc34)cc21
InChIInChI=1S/C17H15FN6/c1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-16-13(21-22-17)6-10(18)8-19-16/h4-9H,2-3H2,1H3,(H2,20,21,22)
InChIKeyXCHAKMLWSZXHOK-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.60
Rot. Bonds3

About N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192016) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192016
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC NameN-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(C2CC2)c2ccc(Nc3n[nH]c4cc(F)cnc34)cc21
InChIInChI=1S/C17H15FN6/c1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-16-13(21-22-17)6-10(18)8-19-16/h4-9H,2-3H2,1H3,(H2,20,21,22)
InChIKeyXCHAKMLWSZXHOK-UHFFFAOYSA-N
XLogP3.60
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192016) is N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cc(F)cnc34)cc21.
What is the InChIKey of N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is XCHAKMLWSZXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-16-13(21-22-17)6-10(18)8-19-16/h4-9H,2-3H2,1H3,(H2,20,21,22).
What are the key properties of N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 322.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).