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

C24H33F2N5O2 — CID 78319051

IUPAC5-[1-(3,3-difluorocyclopentyl)-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(C3CCC(F)(F)C3)n2)cnc1N
InChIInChI=1S/C24H33F2N5O2/c1-15(2)33-22-9-17(12-28-23(22)27)20-10-21(31(29-20)18-3-6-24(25,26)11-18)16-4-7-30(8-5-16)19-13-32-14-19/h9-10,12,15-16,18-19H,3-8,11,13-14H2,1-2H3,(H2,27,28)
InChIKeyWANMPRCUUCJGPN-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.25
Rot. Bonds6

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

5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 78319051) has the molecular formula C24H33F2N5O2 and a molecular weight of 461.56 g/mol. Its IUPAC name is 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
PubChem CID78319051
Molecular FormulaC24H33F2N5O2
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name5-[1-(3,3-difluorocyclopentyl)-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(C3CCC(F)(F)C3)n2)cnc1N
InChIInChI=1S/C24H33F2N5O2/c1-15(2)33-22-9-17(12-28-23(22)27)20-10-21(31(29-20)18-3-6-24(25,26)11-18)16-4-7-30(8-5-16)19-13-32-14-19/h9-10,12,15-16,18-19H,3-8,11,13-14H2,1-2H3,(H2,27,28)
InChIKeyWANMPRCUUCJGPN-UHFFFAOYSA-N
XLogP4.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine (CID 78319051) is 5-[1-(3,3-difluorocyclopentyl)-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-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 5-[1-(3,3-difluorocyclopentyl)-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(C3CCC(F)(F)C3)n2)cnc1N.
What is the InChIKey of 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is WANMPRCUUCJGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5O2/c1-15(2)33-22-9-17(12-28-23(22)27)20-10-21(31(29-20)18-3-6-24(25,26)11-18)16-4-7-30(8-5-16)19-13-32-14-19/h9-10,12,15-16,18-19H,3-8,11,13-14H2,1-2H3,(H2,27,28).
What are the key properties of 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine?
5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 461.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 78319051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).