N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide

C22H23F2N7O3 — CID 166512885

IUPACN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)c3nn[nH]n3)C2)c(OC(F)F)n1
InChIInChI=1S/C22H23F2N7O3/c1-12(2)14-6-4-5-7-15(14)22(10-31(11-22)19(32)17-27-29-30-28-17)20(33)26-16-9-8-13(3)25-18(16)34-21(23)24/h4-9,12,21H,10-11H2,1-3H3,(H,26,33)(H,27,28,29,30)
InChIKeyGZVRHMHJRVHTTI-UHFFFAOYSA-N
MW471.47 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide (PubChem CID 166512885) has the molecular formula C22H23F2N7O3 and a molecular weight of 471.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide
PubChem CID166512885
Molecular FormulaC22H23F2N7O3
Molecular Weight471.47 g/mol
Exact Mass471.18
IUPAC NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)c3nn[nH]n3)C2)c(OC(F)F)n1
InChIInChI=1S/C22H23F2N7O3/c1-12(2)14-6-4-5-7-15(14)22(10-31(11-22)19(32)17-27-29-30-28-17)20(33)26-16-9-8-13(3)25-18(16)34-21(23)24/h4-9,12,21H,10-11H2,1-3H3,(H,26,33)(H,27,28,29,30)
InChIKeyGZVRHMHJRVHTTI-UHFFFAOYSA-N
XLogP2.66
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 146265906
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
1-[(2S)-3-amino-2-hydroxypropyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265857
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
CID 175086364
cis-(1S,2R)-2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146265739
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265685
3-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylpropanoic acid
CID 166512726
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693
3-[2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2-oxoethyl]oxetane-3-carboxylic acid
CID 166512843
1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512794
methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate
CID 146265818

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide (CID 166512885) is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C(=O)c3nn[nH]n3)C2)c(OC(F)F)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide?
The InChIKey is GZVRHMHJRVHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O3/c1-12(2)14-6-4-5-7-15(14)22(10-31(11-22)19(32)17-27-29-30-28-17)20(33)26-16-9-8-13(3)25-18(16)34-21(23)24/h4-9,12,21H,10-11H2,1-3H3,(H,26,33)(H,27,28,29,30).
What are the key properties of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide?
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 166512885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).