5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C19H22F2N8O2 — CID 167844806

IUPAC5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC2(C(F)F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C19H22F2N8O2/c1-30-13-5-23-6-14(31-10-19(18(20)21)8-24-9-19)17(13)12-2-15(29-28-12)27-16-7-25-11(3-22)4-26-16/h4-7,12,15,18,24,28-29H,2,8-10H2,1H3,(H,26,27)
InChIKeyKDZBPRIEODRSHY-UHFFFAOYSA-N
MW432.44 g/mol
LogP0.96
Rot. Bonds8

About 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844806) has the molecular formula C19H22F2N8O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844806
Molecular FormulaC19H22F2N8O2
Molecular Weight432.44 g/mol
Exact Mass432.18
IUPAC Name5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC2(C(F)F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C19H22F2N8O2/c1-30-13-5-23-6-14(31-10-19(18(20)21)8-24-9-19)17(13)12-2-15(29-28-12)27-16-7-25-11(3-22)4-26-16/h4-7,12,15,18,24,28-29H,2,8-10H2,1H3,(H,26,27)
InChIKeyKDZBPRIEODRSHY-UHFFFAOYSA-N
XLogP0.96
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844806) is 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cncc(OCC2(C(F)F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is KDZBPRIEODRSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O2/c1-30-13-5-23-6-14(31-10-19(18(20)21)8-24-9-19)17(13)12-2-15(29-28-12)27-16-7-25-11(3-22)4-26-16/h4-7,12,15,18,24,28-29H,2,8-10H2,1H3,(H,26,27).
What are the key properties of 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 432.44 g/mol, XLogP of 0.96, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-[[3-(difluoromethyl)azetidin-3-yl]methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).