3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C18H17F2N5O4S — CID 56661795

IUPAC3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC4CC4)c3F)cc12
InChIInChI=1S/C18H17F2N5O4S/c1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9/h4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyRZQMYYLKHROHCG-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.65
Rot. Bonds7

About 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56661795) has the molecular formula C18H17F2N5O4S and a molecular weight of 437.43 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56661795
Molecular FormulaC18H17F2N5O4S
Molecular Weight437.43 g/mol
Exact Mass437.10
IUPAC Name3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC4CC4)c3F)cc12
InChIInChI=1S/C18H17F2N5O4S/c1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9/h4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyRZQMYYLKHROHCG-UHFFFAOYSA-N
XLogP2.65
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56661795) is 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC4CC4)c3F)cc12.
What is the InChIKey of 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is RZQMYYLKHROHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O4S/c1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9/h4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 437.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56661795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).