2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide

C20H17F3N6O2S — CID 59592892

IUPAC2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)10-24-19(30)15-8-14-16(32-15)18(29-4-6-31-7-5-29)27-17(26-14)11-2-1-3-13-12(11)9-25-28-13/h1-3,8-9H,4-7,10H2,(H,24,30)(H,25,28)
InChIKeyJLVNYYWPIGRCTI-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.36
Rot. Bonds4

About 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide

2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 59592892) has the molecular formula C20H17F3N6O2S and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID59592892
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC Name2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)10-24-19(30)15-8-14-16(32-15)18(29-4-6-31-7-5-29)27-17(26-14)11-2-1-3-13-12(11)9-25-28-13/h1-3,8-9H,4-7,10H2,(H,24,30)(H,25,28)
InChIKeyJLVNYYWPIGRCTI-UHFFFAOYSA-N
XLogP3.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide (CID 59592892) is 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide is O=C(NCC(F)(F)F)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is JLVNYYWPIGRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c21-20(22,23)10-24-19(30)15-8-14-16(32-15)18(29-4-6-31-7-5-29)27-17(26-14)11-2-1-3-13-12(11)9-25-28-13/h1-3,8-9H,4-7,10H2,(H,24,30)(H,25,28).
What are the key properties of 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide?
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59592892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).