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

C17H14F2N6S — CID 162784919

IUPAC7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NCC(F)(F)c2ccccn2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H14F2N6S/c18-17(19,14-3-1-2-5-21-14)9-22-11-8-15(20)24-12-7-13(26-16(11)12)10-4-6-23-25-10/h1-8H,9H2,(H,23,25)(H3,20,22,24)
InChIKeyNTHBJNIOGFZRLV-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.87
Rot. Bonds5

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

7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162784919) has the molecular formula C17H14F2N6S and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162784919
Molecular FormulaC17H14F2N6S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESNc1cc(NCC(F)(F)c2ccccn2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H14F2N6S/c18-17(19,14-3-1-2-5-21-14)9-22-11-8-15(20)24-12-7-13(26-16(11)12)10-4-6-23-25-10/h1-8H,9H2,(H,23,25)(H3,20,22,24)
InChIKeyNTHBJNIOGFZRLV-UHFFFAOYSA-N
XLogP3.87
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162784919) is 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Nc1cc(NCC(F)(F)c2ccccn2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is NTHBJNIOGFZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6S/c18-17(19,14-3-1-2-5-21-14)9-22-11-8-15(20)24-12-7-13(26-16(11)12)10-4-6-23-25-10/h1-8H,9H2,(H,23,25)(H3,20,22,24).
What are the key properties of 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 372.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).