N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide

C26H25FN4O2 — CID 164782983

IUPACN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2nn(Cc3ccc(OC)cc3)cc2Cc2ccccc2)c(F)cn1
InChIInChI=1S/C26H25FN4O2/c1-3-21-14-23(24(27)15-28-21)26(32)29-25-20(13-18-7-5-4-6-8-18)17-31(30-25)16-19-9-11-22(33-2)12-10-19/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,29,30,32)
InChIKeyAWJILDYJIXIQPU-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.88
Rot. Bonds8

About N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide

N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide (PubChem CID 164782983) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide
PubChem CID164782983
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2nn(Cc3ccc(OC)cc3)cc2Cc2ccccc2)c(F)cn1
InChIInChI=1S/C26H25FN4O2/c1-3-21-14-23(24(27)15-28-21)26(32)29-25-20(13-18-7-5-4-6-8-18)17-31(30-25)16-19-9-11-22(33-2)12-10-19/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,29,30,32)
InChIKeyAWJILDYJIXIQPU-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide (CID 164782983) is N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide is CCc1cc(C(=O)Nc2nn(Cc3ccc(OC)cc3)cc2Cc2ccccc2)c(F)cn1.
What is the InChIKey of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide?
The InChIKey is AWJILDYJIXIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-3-21-14-23(24(27)15-28-21)26(32)29-25-20(13-18-7-5-4-6-8-18)17-31(30-25)16-19-9-11-22(33-2)12-10-19/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,29,30,32).
What are the key properties of N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide?
N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide is sourced from PubChem (CID 164782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).