N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide

C23H22F2N4O2 — CID 126740624

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30)
InChIKeyQYOBBRSIUQCSCG-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.64
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide (PubChem CID 126740624) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
PubChem CID126740624
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30)
InChIKeyQYOBBRSIUQCSCG-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide (CID 126740624) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide is CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
The InChIKey is QYOBBRSIUQCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide has a molecular weight of 424.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide is sourced from PubChem (CID 126740624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).