1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone

C25H25N5O2 — CID 118167382

IUPAC1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nn(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C25H25N5O2/c1-17(31)29-15-5-6-18(16-29)23-22-13-14-27-25(26)24(22)30(28-23)19-9-11-21(12-10-19)32-20-7-3-2-4-8-20/h2-4,7-14,18H,5-6,15-16H2,1H3,(H2,26,27)/t18-/m1/s1
InChIKeyPSWOHIHZANHOPP-GOSISDBHSA-N
MW427.51 g/mol
LogP4.52
Rot. Bonds4

About 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone

1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone (PubChem CID 118167382) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone
PubChem CID118167382
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nn(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C25H25N5O2/c1-17(31)29-15-5-6-18(16-29)23-22-13-14-27-25(26)24(22)30(28-23)19-9-11-21(12-10-19)32-20-7-3-2-4-8-20/h2-4,7-14,18H,5-6,15-16H2,1H3,(H2,26,27)/t18-/m1/s1
InChIKeyPSWOHIHZANHOPP-GOSISDBHSA-N
XLogP4.52
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone (CID 118167382) is 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2nn(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc23)C1.
What is the InChIKey of 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is PSWOHIHZANHOPP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17(31)29-15-5-6-18(16-29)23-22-13-14-27-25(26)24(22)30(28-23)19-9-11-21(12-10-19)32-20-7-3-2-4-8-20/h2-4,7-14,18H,5-6,15-16H2,1H3,(H2,26,27)/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118167382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).