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

C25H33F2N5O2 — CID 78318139

IUPAC3-(cyclopropylmethoxy)-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)cc1OCC1CC1
InChIInChI=1S/C25H33F2N5O2/c26-25(27)6-3-19(11-25)32-22(17-4-7-31(8-5-17)20-14-33-15-20)10-21(30-32)18-9-23(24(28)29-12-18)34-13-16-1-2-16/h9-10,12,16-17,19-20H,1-8,11,13-15H2,(H2,28,29)
InChIKeyYYMPPNLAYCTNBR-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.25
Rot. Bonds7

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

3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 78318139) has the molecular formula C25H33F2N5O2 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID78318139
Molecular FormulaC25H33F2N5O2
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC Name3-(cyclopropylmethoxy)-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)cc1OCC1CC1
InChIInChI=1S/C25H33F2N5O2/c26-25(27)6-3-19(11-25)32-22(17-4-7-31(8-5-17)20-14-33-15-20)10-21(30-32)18-9-23(24(28)29-12-18)34-13-16-1-2-16/h9-10,12,16-17,19-20H,1-8,11,13-15H2,(H2,28,29)
InChIKeyYYMPPNLAYCTNBR-UHFFFAOYSA-N
XLogP4.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (CID 78318139) is 3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-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)cc1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is YYMPPNLAYCTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N5O2/c26-25(27)6-3-19(11-25)32-22(17-4-7-31(8-5-17)20-14-33-15-20)10-21(30-32)18-9-23(24(28)29-12-18)34-13-16-1-2-16/h9-10,12,16-17,19-20H,1-8,11,13-15H2,(H2,28,29).
What are the key properties of 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 473.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78318139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).