7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C16H17F2N5S — CID 162785033

IUPAC7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17F2N5S/c17-16(18)4-1-9(2-5-16)21-12-8-14(19)22-11-7-13(24-15(11)12)10-3-6-20-23-10/h3,6-9H,1-2,4-5H2,(H,20,23)(H3,19,21,22)
InChIKeyQWXFGFXLCAFGOJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.26
Rot. Bonds3

About 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162785033) has the molecular formula C16H17F2N5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162785033
Molecular FormulaC16H17F2N5S
Molecular Weight349.41 g/mol
Exact Mass349.12
IUPAC Name7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17F2N5S/c17-16(18)4-1-9(2-5-16)21-12-8-14(19)22-11-7-13(24-15(11)12)10-3-6-20-23-10/h3,6-9H,1-2,4-5H2,(H,20,23)(H3,19,21,22)
InChIKeyQWXFGFXLCAFGOJ-UHFFFAOYSA-N
XLogP4.26
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162785033) is 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Nc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is QWXFGFXLCAFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5S/c17-16(18)4-1-9(2-5-16)21-12-8-14(19)22-11-7-13(24-15(11)12)10-3-6-20-23-10/h3,6-9H,1-2,4-5H2,(H,20,23)(H3,19,21,22).
What are the key properties of 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 349.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162785033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).