N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

C22H21FN6O3 — CID 26277723

IUPACN-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1)c1ccccn1
InChIInChI=1S/C22H21FN6O3/c23-17-5-3-4-16(10-17)12-27-8-9-28(14-20(27)30)21(31)15-29-13-18(11-25-29)26-22(32)19-6-1-2-7-24-19/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,32)
InChIKeyDKSDVPGTBHRXMI-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.54
Rot. Bonds6

About N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 26277723) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID26277723
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC NameN-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1)c1ccccn1
InChIInChI=1S/C22H21FN6O3/c23-17-5-3-4-16(10-17)12-27-8-9-28(14-20(27)30)21(31)15-29-13-18(11-25-29)26-22(32)19-6-1-2-7-24-19/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,32)
InChIKeyDKSDVPGTBHRXMI-UHFFFAOYSA-N
XLogP1.54
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596090
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CID 166358962
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146220549
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 119803556
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
2-(4-bromopyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19527807
N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634671
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
2,4-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 26277723) is N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1)c1ccccn1.
What is the InChIKey of N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DKSDVPGTBHRXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c23-17-5-3-4-16(10-17)12-27-8-9-28(14-20(27)30)21(31)15-29-13-18(11-25-29)26-22(32)19-6-1-2-7-24-19/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,32).
What are the key properties of N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 26277723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).