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

C20H29N5O2 — CID 78318141

IUPAC3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C20H29N5O2/c1-13(2)25-18(14-4-6-24(7-5-14)16-11-27-12-16)9-17(23-25)15-8-19(26-3)20(21)22-10-15/h8-10,13-14,16H,4-7,11-12H2,1-3H3,(H2,21,22)
InChIKeyJYBGMHQRAZXAEJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.69
Rot. Bonds5

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

3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 78318141) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID78318141
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C20H29N5O2/c1-13(2)25-18(14-4-6-24(7-5-14)16-11-27-12-16)9-17(23-25)15-8-19(26-3)20(21)22-10-15/h8-10,13-14,16H,4-7,11-12H2,1-3H3,(H2,21,22)
InChIKeyJYBGMHQRAZXAEJ-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 78318141) is 3-methoxy-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-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is COc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N.
What is the InChIKey of 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is JYBGMHQRAZXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13(2)25-18(14-4-6-24(7-5-14)16-11-27-12-16)9-17(23-25)15-8-19(26-3)20(21)22-10-15/h8-10,13-14,16H,4-7,11-12H2,1-3H3,(H2,21,22).
What are the key properties of 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 371.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78318141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).