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

C20H29N5O — CID 78319046

IUPAC3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C20H29N5O/c1-13(2)25-19(15-4-6-24(7-5-15)17-11-26-12-17)9-18(23-25)16-8-14(3)20(21)22-10-16/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H2,21,22)
InChIKeyTUDQYKXHNYUTET-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.99
Rot. Bonds4

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

3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 78319046) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID78319046
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
InChIInChI=1S/C20H29N5O/c1-13(2)25-19(15-4-6-24(7-5-15)17-11-26-12-17)9-18(23-25)16-8-14(3)20(21)22-10-16/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H2,21,22)
InChIKeyTUDQYKXHNYUTET-UHFFFAOYSA-N
XLogP2.99
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 78319046) is 3-methyl-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-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is Cc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N.
What is the InChIKey of 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is TUDQYKXHNYUTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13(2)25-19(15-4-6-24(7-5-15)17-11-26-12-17)9-18(23-25)16-8-14(3)20(21)22-10-16/h8-10,13,15,17H,4-7,11-12H2,1-3H3,(H2,21,22).
What are the key properties of 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 355.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78319046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).