7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C12H11F2N5S — CID 162784912

IUPAC7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C12H11F2N5S/c13-10(14)5-16-7-4-11(15)18-8-3-9(20-12(7)8)6-1-2-17-19-6/h1-4,10H,5H2,(H,17,19)(H3,15,16,18)
InChIKeyYFQOWBGGADXSCJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.95
Rot. Bonds4

About 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162784912) has the molecular formula C12H11F2N5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162784912
Molecular FormulaC12H11F2N5S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C12H11F2N5S/c13-10(14)5-16-7-4-11(15)18-8-3-9(20-12(7)8)6-1-2-17-19-6/h1-4,10H,5H2,(H,17,19)(H3,15,16,18)
InChIKeyYFQOWBGGADXSCJ-UHFFFAOYSA-N
XLogP2.95
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162784912) is 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Nc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is YFQOWBGGADXSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5S/c13-10(14)5-16-7-4-11(15)18-8-3-9(20-12(7)8)6-1-2-17-19-6/h1-4,10H,5H2,(H,17,19)(H3,15,16,18).
What are the key properties of 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 295.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162784912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).