4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine

C18H26N4O2 — CID 126716700

IUPAC4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine
SMILESCc1cc(OC(C)C2CCN(C3COC3)CC2)cc2[nH]nc(N)c12
InChIInChI=1S/C18H26N4O2/c1-11-7-15(8-16-17(11)18(19)21-20-16)24-12(2)13-3-5-22(6-4-13)14-9-23-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3,(H3,19,20,21)
InChIKeyCTTDJCPWRLXLIZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine

4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine (PubChem CID 126716700) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine
PubChem CID126716700
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine
SMILESCc1cc(OC(C)C2CCN(C3COC3)CC2)cc2[nH]nc(N)c12
InChIInChI=1S/C18H26N4O2/c1-11-7-15(8-16-17(11)18(19)21-20-16)24-12(2)13-3-5-22(6-4-13)14-9-23-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3,(H3,19,20,21)
InChIKeyCTTDJCPWRLXLIZ-UHFFFAOYSA-N
XLogP2.33
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine?
The IUPAC name of 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine (CID 126716700) is 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine.
What is the SMILES notation for 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine?
The canonical SMILES for 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine is Cc1cc(OC(C)C2CCN(C3COC3)CC2)cc2[nH]nc(N)c12.
What is the InChIKey of 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine?
The InChIKey is CTTDJCPWRLXLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-7-15(8-16-17(11)18(19)21-20-16)24-12(2)13-3-5-22(6-4-13)14-9-23-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3,(H3,19,20,21).
What are the key properties of 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine?
4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine has a molecular weight of 330.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).