1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen

C19H25F4N5O3S — CID 143860320

IUPAC1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F.FC1(F)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H15F2N5O3S.C3H4F2.3H2/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10;4-3(5)1-2-3;;;/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22);1-2H2;3*1H
InChIKeyBXWKXIARGABISF-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.79
Rot. Bonds6

About 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen

1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen (PubChem CID 143860320) has the molecular formula C19H25F4N5O3S and a molecular weight of 479.50 g/mol. Its IUPAC name is 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
PubChem CID143860320
Molecular FormulaC19H25F4N5O3S
Molecular Weight479.50 g/mol
Exact Mass479.16
IUPAC Name1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F.FC1(F)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H15F2N5O3S.C3H4F2.3H2/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10;4-3(5)1-2-3;;;/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22);1-2H2;3*1H
InChIKeyBXWKXIARGABISF-UHFFFAOYSA-N
XLogP4.79
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 71552688
2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 58227760
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 87290017
2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
CID 67971007
6-fluoro-2-methyl-3-(3-propylsulfonylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 68641267
2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
CID 50997675
2,6-difluoro-N-[2-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50994977
N-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(3-propylsulfonylpropylsulfonylamino)benzamide
CID 68640540
2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50997680
2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 56675551
N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
CID 126647700

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen?
The IUPAC name of 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen (CID 143860320) is 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen.
What is the SMILES notation for 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen?
The canonical SMILES for 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F.FC1(F)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen?
The InChIKey is BXWKXIARGABISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S.C3H4F2.3H2/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10;4-3(5)1-2-3;;;/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22);1-2H2;3*1H.
What are the key properties of 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen?
1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen has a molecular weight of 479.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen is sourced from PubChem (CID 143860320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).