4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C23H17N7S — CID 59130364

IUPAC4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccccc2n1
InChIInChI=1S/C23H17N7S/c1-13-10-20(16-4-2-3-5-18(16)25-13)28-23-27-19-8-9-31-21(19)22(29-23)26-15-6-7-17-14(11-15)12-24-30-17/h2-12H,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyAIKOPSMZPOGMSJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.91
Rot. Bonds4

About 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130364) has the molecular formula C23H17N7S and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130364
Molecular FormulaC23H17N7S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccccc2n1
InChIInChI=1S/C23H17N7S/c1-13-10-20(16-4-2-3-5-18(16)25-13)28-23-27-19-8-9-31-21(19)22(29-23)26-15-6-7-17-14(11-15)12-24-30-17/h2-12H,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyAIKOPSMZPOGMSJ-UHFFFAOYSA-N
XLogP5.91
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 59130364) is 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccccc2n1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is AIKOPSMZPOGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7S/c1-13-10-20(16-4-2-3-5-18(16)25-13)28-23-27-19-8-9-31-21(19)22(29-23)26-15-6-7-17-14(11-15)12-24-30-17/h2-12H,1H3,(H,24,30)(H2,25,26,27,28,29).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 423.51 g/mol, XLogP of 5.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).