N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide

C21H21FN6O2 — CID 53187605

IUPACN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2)nn1C
InChIInChI=1S/C21H21FN6O2/c1-14-11-18(25-26(14)2)20(29)24-17-7-8-19(23-12-17)28-10-9-27(21(28)30)13-15-3-5-16(22)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,29)
InChIKeyZADCPQIRBLPYNK-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.96
Rot. Bonds5

About N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide

N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 53187605) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID53187605
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2)nn1C
InChIInChI=1S/C21H21FN6O2/c1-14-11-18(25-26(14)2)20(29)24-17-7-8-19(23-12-17)28-10-9-27(21(28)30)13-15-3-5-16(22)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,29)
InChIKeyZADCPQIRBLPYNK-UHFFFAOYSA-N
XLogP2.96
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide (CID 53187605) is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2)nn1C.
What is the InChIKey of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZADCPQIRBLPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-14-11-18(25-26(14)2)20(29)24-17-7-8-19(23-12-17)28-10-9-27(21(28)30)13-15-3-5-16(22)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,29).
What are the key properties of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 53187605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).