N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide

C23H21F2N7O2 — CID 174174742

IUPACN-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(OC(F)F)ccn2)cc1NC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C23H21F2N7O2/c1-14-2-3-15(22(33)30-21-9-17(4-5-27-21)34-23(24)25)8-18(14)29-16-12-31(13-16)19-11-28-32-7-6-26-10-20(19)32/h2-11,16,23,29H,12-13H2,1H3,(H,27,30,33)
InChIKeyURNOBVRPCYVZMJ-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.59
Rot. Bonds7

About N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide

N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide (PubChem CID 174174742) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide
PubChem CID174174742
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC NameN-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(OC(F)F)ccn2)cc1NC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C23H21F2N7O2/c1-14-2-3-15(22(33)30-21-9-17(4-5-27-21)34-23(24)25)8-18(14)29-16-12-31(13-16)19-11-28-32-7-6-26-10-20(19)32/h2-11,16,23,29H,12-13H2,1H3,(H,27,30,33)
InChIKeyURNOBVRPCYVZMJ-UHFFFAOYSA-N
XLogP3.59
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174761
4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174763
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174766
4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170733818
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 79736322
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
4-methyl-3-[[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174745
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide (CID 174174742) is N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide is Cc1ccc(C(=O)Nc2cc(OC(F)F)ccn2)cc1NC1CN(c2cnn3ccncc23)C1.
What is the InChIKey of N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide?
The InChIKey is URNOBVRPCYVZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-14-2-3-15(22(33)30-21-9-17(4-5-27-21)34-23(24)25)8-18(14)29-16-12-31(13-16)19-11-28-32-7-6-26-10-20(19)32/h2-11,16,23,29H,12-13H2,1H3,(H,27,30,33).
What are the key properties of N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide?
N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide has a molecular weight of 465.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide is sourced from PubChem (CID 174174742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).