N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide

C27H21F2N5O2 — CID 10074109

IUPACN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C27H21F2N5O2/c28-20-5-1-17(2-6-20)24-22-15-34(14-13-31-23(36)16-35)33-27(22)32-26(19-3-7-21(29)8-4-19)25(24)18-9-11-30-12-10-18/h1-12,15,35H,13-14,16H2,(H,31,36)
InChIKeyCMPACFKUAFSNHX-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.21
Rot. Bonds7

About N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide

N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide (PubChem CID 10074109) has the molecular formula C27H21F2N5O2 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide
PubChem CID10074109
Molecular FormulaC27H21F2N5O2
Molecular Weight485.49 g/mol
Exact Mass485.17
IUPAC NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C27H21F2N5O2/c28-20-5-1-17(2-6-20)24-22-15-34(14-13-31-23(36)16-35)33-27(22)32-26(19-3-7-21(29)8-4-19)25(24)18-9-11-30-12-10-18/h1-12,15,35H,13-14,16H2,(H,31,36)
InChIKeyCMPACFKUAFSNHX-UHFFFAOYSA-N
XLogP4.21
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide (CID 10074109) is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide is O=C(CO)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide?
The InChIKey is CMPACFKUAFSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O2/c28-20-5-1-17(2-6-20)24-22-15-34(14-13-31-23(36)16-35)33-27(22)32-26(19-3-7-21(29)8-4-19)25(24)18-9-11-30-12-10-18/h1-12,15,35H,13-14,16H2,(H,31,36).
What are the key properties of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide?
N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide has a molecular weight of 485.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 10074109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).