N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide

C26H24F2N6O — CID 46856024

IUPACN-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C26H24F2N6O/c27-21-6-3-7-22(28)25(21)30-24(35)17-33-12-14-34(15-13-33)26-20-5-2-1-4-19(20)23(31-32-26)16-18-8-10-29-11-9-18/h1-11H,12-17H2,(H,30,35)
InChIKeyUATRJUZEXXFVNO-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.65
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide

N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide (PubChem CID 46856024) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
PubChem CID46856024
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C26H24F2N6O/c27-21-6-3-7-22(28)25(21)30-24(35)17-33-12-14-34(15-13-33)26-20-5-2-1-4-19(20)23(31-32-26)16-18-8-10-29-11-9-18/h1-11H,12-17H2,(H,30,35)
InChIKeyUATRJUZEXXFVNO-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide (CID 46856024) is N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide?
The InChIKey is UATRJUZEXXFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c27-21-6-3-7-22(28)25(21)30-24(35)17-33-12-14-34(15-13-33)26-20-5-2-1-4-19(20)23(31-32-26)16-18-8-10-29-11-9-18/h1-11H,12-17H2,(H,30,35).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide?
N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide has a molecular weight of 474.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).