N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide

C20H18FN7O — CID 155554624

IUPACN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(-c2ccnc(NC(=O)CCn3cncn3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)
InChIKeyKKMLKWDEBLECJJ-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 155554624) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID155554624
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(-c2ccnc(NC(=O)CCn3cncn3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)
InChIKeyKKMLKWDEBLECJJ-UHFFFAOYSA-N
XLogP3.21
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 155554624) is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1nc(-c2ccnc(NC(=O)CCn3cncn3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KKMLKWDEBLECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 391.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 155554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).