N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C17H16N6O2 — CID 134192164

IUPACN-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C17H16N6O2/c1-23-14-7-10(19-16-15-13(20-21-16)3-2-6-18-15)4-5-12(14)17(22-23)25-11-8-24-9-11/h2-7,11H,8-9H2,1H3,(H2,19,20,21)
InChIKeyHWELLGLWNGVOSM-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.37
Rot. Bonds4

About N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192164) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192164
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C17H16N6O2/c1-23-14-7-10(19-16-15-13(20-21-16)3-2-6-18-15)4-5-12(14)17(22-23)25-11-8-24-9-11/h2-7,11H,8-9H2,1H3,(H2,19,20,21)
InChIKeyHWELLGLWNGVOSM-UHFFFAOYSA-N
XLogP2.37
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192164) is N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is HWELLGLWNGVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-23-14-7-10(19-16-15-13(20-21-16)3-2-6-18-15)4-5-12(14)17(22-23)25-11-8-24-9-11/h2-7,11H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 336.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxetan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).