5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine

C24H35N5O2 — CID 78318140

IUPAC5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N
InChIInChI=1S/C24H35N5O2/c1-16(2)31-23-11-18(13-26-24(23)25)21-12-22(29(27-21)19-5-3-4-6-19)17-7-9-28(10-8-17)20-14-30-15-20/h11-13,16-17,19-20H,3-10,14-15H2,1-2H3,(H2,25,26)
InChIKeyQGAWSOACWPPGOD-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.01
Rot. Bonds6

About 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine

5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 78318140) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
PubChem CID78318140
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N
InChIInChI=1S/C24H35N5O2/c1-16(2)31-23-11-18(13-26-24(23)25)21-12-22(29(27-21)19-5-3-4-6-19)17-7-9-28(10-8-17)20-14-30-15-20/h11-13,16-17,19-20H,3-10,14-15H2,1-2H3,(H2,25,26)
InChIKeyQGAWSOACWPPGOD-UHFFFAOYSA-N
XLogP4.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (CID 78318140) is 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N.
What is the InChIKey of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is QGAWSOACWPPGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-16(2)31-23-11-18(13-26-24(23)25)21-12-22(29(27-21)19-5-3-4-6-19)17-7-9-28(10-8-17)20-14-30-15-20/h11-13,16-17,19-20H,3-10,14-15H2,1-2H3,(H2,25,26).
What are the key properties of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 425.58 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 78318140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).