N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide

C22H21FN6O — CID 95850905

IUPACN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCn1ccnc1-c1nn(CCNC(=O)Cc2cccnc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-29(27-21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30)
InChIKeyDWIYBFUXDPRWRK-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide

N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide (PubChem CID 95850905) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
PubChem CID95850905
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCn1ccnc1-c1nn(CCNC(=O)Cc2cccnc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-29(27-21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30)
InChIKeyDWIYBFUXDPRWRK-UHFFFAOYSA-N
XLogP2.84
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide (CID 95850905) is N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide is Cn1ccnc1-c1nn(CCNC(=O)Cc2cccnc2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is DWIYBFUXDPRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-29(27-21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30).
What are the key properties of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 404.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 95850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).