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

C13H13F2N5S — CID 171061673

IUPAC7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCNc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C13H13F2N5S/c1-16-12-5-8(17-6-11(14)15)13-9(19-12)4-10(21-13)7-2-3-18-20-7/h2-5,11H,6H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyULEQAKPASIJRSJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.41
Rot. Bonds5

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

7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 171061673) has the molecular formula C13H13F2N5S and a molecular weight of 309.35 g/mol. Its IUPAC name is 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID171061673
Molecular FormulaC13H13F2N5S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCNc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C13H13F2N5S/c1-16-12-5-8(17-6-11(14)15)13-9(19-12)4-10(21-13)7-2-3-18-20-7/h2-5,11H,6H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyULEQAKPASIJRSJ-UHFFFAOYSA-N
XLogP3.41
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-pyrazol-1-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76332494
N,N-dimethyl-4-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449570
(2S)-1-N-[2-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596296
[2-(5-Methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
CID 89588899
N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine
CID 30881870
4-N-[5-(1,3-benzothiazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine
CID 177371272
N,4-dimethyl-5-pyrazolo[1,5-a]pyridin-7-yl-1,3-thiazol-2-amine
CID 121503230
4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10127360
2-N-[(2-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10150636
2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10150637
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216216
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216271

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 171061673) is 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CNc1cc(NCC(F)F)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is ULEQAKPASIJRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5S/c1-16-12-5-8(17-6-11(14)15)13-9(19-12)4-10(21-13)7-2-3-18-20-7/h2-5,11H,6H2,1H3,(H,18,20)(H2,16,17,19).
What are the key properties of 7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-(2,2-difluoroethyl)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 309.35 g/mol, XLogP of 3.41, 5 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)-5-N-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 171061673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).