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

C22H31N5O2 — CID 78318138

IUPAC5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N
InChIInChI=1S/C22H31N5O2/c1-28-21-10-16(12-24-22(21)23)19-11-20(27(25-19)17-4-2-3-5-17)15-6-8-26(9-7-15)18-13-29-14-18/h10-12,15,17-18H,2-9,13-14H2,1H3,(H2,23,24)
InChIKeyPSQQHUAWOFHNTA-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.23
Rot. Bonds5

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

5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine (PubChem CID 78318138) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine
PubChem CID78318138
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cnc1N
InChIInChI=1S/C22H31N5O2/c1-28-21-10-16(12-24-22(21)23)19-11-20(27(25-19)17-4-2-3-5-17)15-6-8-26(9-7-15)18-13-29-14-18/h10-12,15,17-18H,2-9,13-14H2,1H3,(H2,23,24)
InChIKeyPSQQHUAWOFHNTA-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.23
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-methoxypyridin-2-amine?
The IUPAC name of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine (CID 78318138) is 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine?
The canonical SMILES for 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine is COc1cc(-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-methoxypyridin-2-amine?
The InChIKey is PSQQHUAWOFHNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-28-21-10-16(12-24-22(21)23)19-11-20(27(25-19)17-4-2-3-5-17)15-6-8-26(9-7-15)18-13-29-14-18/h10-12,15,17-18H,2-9,13-14H2,1H3,(H2,23,24).
What are the key properties of 5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine?
5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine has a molecular weight of 397.52 g/mol, XLogP of 3.23, 5 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-methoxypyridin-2-amine is sourced from PubChem (CID 78318138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).