1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C25H24F2N6O2 — CID 146265749

IUPAC1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(c3ncc(C#N)cn3)C2)c(OC(F)F)n1
InChIInChI=1S/C25H24F2N6O2/c1-15(2)18-6-4-5-7-19(18)25(13-33(14-25)24-29-11-17(10-28)12-30-24)22(34)32-20-9-8-16(3)31-21(20)35-23(26)27/h4-9,11-12,15,23H,13-14H2,1-3H3,(H,32,34)
InChIKeyQOBAWPGUHJGXMC-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.17
Rot. Bonds7

About 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 146265749) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
PubChem CID146265749
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(c3ncc(C#N)cn3)C2)c(OC(F)F)n1
InChIInChI=1S/C25H24F2N6O2/c1-15(2)18-6-4-5-7-19(18)25(13-33(14-25)24-29-11-17(10-28)12-30-24)22(34)32-20-9-8-16(3)31-21(20)35-23(26)27/h4-9,11-12,15,23H,13-14H2,1-3H3,(H,32,34)
InChIKeyQOBAWPGUHJGXMC-UHFFFAOYSA-N
XLogP4.17
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265772
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]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
[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]-3-(2-propan-2-ylphenyl)-1-(propylsulfamoyl)azetidine-3-carboxamide
CID 166512797
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]-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]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 146265749) is 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(c3ncc(C#N)cn3)C2)c(OC(F)F)n1.
What is the InChIKey of 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The InChIKey is QOBAWPGUHJGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-15(2)18-6-4-5-7-19(18)25(13-33(14-25)24-29-11-17(10-28)12-30-24)22(34)32-20-9-8-16(3)31-21(20)35-23(26)27/h4-9,11-12,15,23H,13-14H2,1-3H3,(H,32,34).
What are the key properties of 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 146265749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).