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

C24H19FN8S — CID 10288663

IUPAC2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN8S/c1-13-20(14-3-5-16(25)6-4-14)23(33(2)32-13)30-24-28-19-9-10-34-21(19)22(29-24)27-17-7-8-18-15(11-17)12-26-31-18/h3-12H,1-2H3,(H,26,31)(H2,27,28,29,30)
InChIKeyMWYWRISDPFGRJI-UHFFFAOYSA-N
MW470.54 g/mol
LogP5.90
Rot. Bonds5

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

2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10288663) has the molecular formula C24H19FN8S and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10288663
Molecular FormulaC24H19FN8S
Molecular Weight470.54 g/mol
Exact Mass470.14
IUPAC Name2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN8S/c1-13-20(14-3-5-16(25)6-4-14)23(33(2)32-13)30-24-28-19-9-10-34-21(19)22(29-24)27-17-7-8-18-15(11-17)12-26-31-18/h3-12H,1-2H3,(H,26,31)(H2,27,28,29,30)
InChIKeyMWYWRISDPFGRJI-UHFFFAOYSA-N
XLogP5.90
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 10288663) is 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1nn(C)c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MWYWRISDPFGRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8S/c1-13-20(14-3-5-16(25)6-4-14)23(33(2)32-13)30-24-28-19-9-10-34-21(19)22(29-24)27-17-7-8-18-15(11-17)12-26-31-18/h3-12H,1-2H3,(H,26,31)(H2,27,28,29,30).
What are the key properties of 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 470.54 g/mol, XLogP of 5.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10288663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).