3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C21H31N5O2 — CID 78319048

IUPAC3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C21H31N5O2/c1-4-28-20-9-16(11-23-21(20)22)18-10-19(26(24-18)14(2)3)15-5-7-25(8-6-15)17-12-27-13-17/h9-11,14-15,17H,4-8,12-13H2,1-3H3,(H2,22,23)
InChIKeyCTGRJBNLVMZPNP-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.09
Rot. Bonds6

About 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 78319048) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID78319048
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C21H31N5O2/c1-4-28-20-9-16(11-23-21(20)22)18-10-19(26(24-18)14(2)3)15-5-7-25(8-6-15)17-12-27-13-17/h9-11,14-15,17H,4-8,12-13H2,1-3H3,(H2,22,23)
InChIKeyCTGRJBNLVMZPNP-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

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CID 25138082
methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
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3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 78319048) is 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N.
What is the InChIKey of 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is CTGRJBNLVMZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-4-28-20-9-16(11-23-21(20)22)18-10-19(26(24-18)14(2)3)15-5-7-25(8-6-15)17-12-27-13-17/h9-11,14-15,17H,4-8,12-13H2,1-3H3,(H2,22,23).
What are the key properties of 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 385.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78319048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).