N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide

C20H13F2N5O2S — CID 144687999

IUPACN-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide
SMILESCOc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2N5O2S/c1-29-20-17(26-30(28)19-3-2-15(21)8-16(19)22)6-13(10-24-20)12-4-5-27-18(7-12)14(9-23)11-25-27/h2-8,10-11,26H,1H3
InChIKeySTLWCMVYGUMMEA-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.69
Rot. Bonds5

About N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide

N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide (PubChem CID 144687999) has the molecular formula C20H13F2N5O2S and a molecular weight of 425.42 g/mol. Its IUPAC name is N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide.

Molecular Properties

Compound NameN-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide
PubChem CID144687999
Molecular FormulaC20H13F2N5O2S
Molecular Weight425.42 g/mol
Exact Mass425.08
IUPAC NameN-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide
SMILESCOc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2N5O2S/c1-29-20-17(26-30(28)19-3-2-15(21)8-16(19)22)6-13(10-24-20)12-4-5-27-18(7-12)14(9-23)11-25-27/h2-8,10-11,26H,1H3
InChIKeySTLWCMVYGUMMEA-UHFFFAOYSA-N
XLogP3.69
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide?
The IUPAC name of N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide (CID 144687999) is N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide.
What is the SMILES notation for N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide?
The canonical SMILES for N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide is COc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide?
The InChIKey is STLWCMVYGUMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O2S/c1-29-20-17(26-30(28)19-3-2-15(21)8-16(19)22)6-13(10-24-20)12-4-5-27-18(7-12)14(9-23)11-25-27/h2-8,10-11,26H,1H3.
What are the key properties of N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide?
N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide has a molecular weight of 425.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide is sourced from PubChem (CID 144687999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).