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

C20H27F2N5O2 — CID 78318246

IUPAC3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H27F2N5O2/c1-12(2)27-17(13-3-5-26(6-4-13)15-10-28-11-15)8-16(25-27)14-7-18(29-20(21)22)19(23)24-9-14/h7-9,12-13,15,20H,3-6,10-11H2,1-2H3,(H2,23,24)
InChIKeyBZEISRTYMZIXRA-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.29
Rot. Bonds6

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

3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 78318246) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID78318246
Molecular FormulaC20H27F2N5O2
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H27F2N5O2/c1-12(2)27-17(13-3-5-26(6-4-13)15-10-28-11-15)8-16(25-27)14-7-18(29-20(21)22)19(23)24-9-14/h7-9,12-13,15,20H,3-6,10-11H2,1-2H3,(H2,23,24)
InChIKeyBZEISRTYMZIXRA-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 78318246) is 3-(difluoromethoxy)-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-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is BZEISRTYMZIXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O2/c1-12(2)27-17(13-3-5-26(6-4-13)15-10-28-11-15)8-16(25-27)14-7-18(29-20(21)22)19(23)24-9-14/h7-9,12-13,15,20H,3-6,10-11H2,1-2H3,(H2,23,24).
What are the key properties of 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 407.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78318246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).