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

C19H17FN8O — CID 155531724

IUPACN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1nc(-c2ccnc(NC(=O)CCn3cnnn3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29)
InChIKeyBUQGASOBUGNCMC-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.60
Rot. Bonds6

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

N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 155531724) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide
PubChem CID155531724
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1nc(-c2ccnc(NC(=O)CCn3cnnn3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29)
InChIKeyBUQGASOBUGNCMC-UHFFFAOYSA-N
XLogP2.60
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide (CID 155531724) is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide is Cc1nc(-c2ccnc(NC(=O)CCn3cnnn3)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-(tetrazol-1-yl)propanamide?
The InChIKey is BUQGASOBUGNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide?
N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 392.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 155531724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).