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

C21H26ClF2N5O — CID 78318143

IUPAC3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl
InChIInChI=1S/C21H26ClF2N5O/c22-17-7-14(10-26-20(17)25)18-8-19(29(27-18)15-1-4-21(23,24)9-15)13-2-5-28(6-3-13)16-11-30-12-16/h7-8,10,13,15-16H,1-6,9,11-12H2,(H2,25,26)
InChIKeyADEIRETUHWLJGQ-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.12
Rot. Bonds4

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

3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 78318143) has the molecular formula C21H26ClF2N5O and a molecular weight of 437.92 g/mol. Its IUPAC name is 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID78318143
Molecular FormulaC21H26ClF2N5O
Molecular Weight437.92 g/mol
Exact Mass437.18
IUPAC Name3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl
InChIInChI=1S/C21H26ClF2N5O/c22-17-7-14(10-26-20(17)25)18-8-19(29(27-18)15-1-4-21(23,24)9-15)13-2-5-28(6-3-13)16-11-30-12-16/h7-8,10,13,15-16H,1-6,9,11-12H2,(H2,25,26)
InChIKeyADEIRETUHWLJGQ-UHFFFAOYSA-N
XLogP4.12
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (CID 78318143) is 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine is Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is ADEIRETUHWLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF2N5O/c22-17-7-14(10-26-20(17)25)18-8-19(29(27-18)15-1-4-21(23,24)9-15)13-2-5-28(6-3-13)16-11-30-12-16/h7-8,10,13,15-16H,1-6,9,11-12H2,(H2,25,26).
What are the key properties of 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 437.92 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78318143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).