N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C21H21F2N7O — CID 170577822

IUPACN-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCC1(C#N)CN(c2nn(-c3cccc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1
InChIInChI=1S/C21H21F2N7O/c1-4-21(10-24)11-29(12-21)19-14-9-25-17(26-13(2)31)8-15(14)30(28-19)18-7-5-6-16(27-18)20(3,22)23/h5-9H,4,11-12H2,1-3H3,(H,25,26,31)
InChIKeyNKPCWMKRXOEKCN-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.63
Rot. Bonds5

About N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577822) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577822
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC NameN-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCC1(C#N)CN(c2nn(-c3cccc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1
InChIInChI=1S/C21H21F2N7O/c1-4-21(10-24)11-29(12-21)19-14-9-25-17(26-13(2)31)8-15(14)30(28-19)18-7-5-6-16(27-18)20(3,22)23/h5-9H,4,11-12H2,1-3H3,(H,25,26,31)
InChIKeyNKPCWMKRXOEKCN-UHFFFAOYSA-N
XLogP3.63
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577822) is N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CCC1(C#N)CN(c2nn(-c3cccc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1.
What is the InChIKey of N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is NKPCWMKRXOEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c1-4-21(10-24)11-29(12-21)19-14-9-25-17(26-13(2)31)8-15(14)30(28-19)18-7-5-6-16(27-18)20(3,22)23/h5-9H,4,11-12H2,1-3H3,(H,25,26,31).
What are the key properties of N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).