4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide

C20H15F3N4O2 — CID 97442208

IUPAC4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NCC(F)(F)F)c2ccccn23)cc1
InChIInChI=1S/C20H15F3N4O2/c1-29-13-7-5-12(6-8-13)17-16-15(19(28)24-10-20(21,22)23)14-4-2-3-9-27(14)18(16)26-11-25-17/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyALSQNCSHBBVGPH-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.85
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide

4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide (PubChem CID 97442208) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide
PubChem CID97442208
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NCC(F)(F)F)c2ccccn23)cc1
InChIInChI=1S/C20H15F3N4O2/c1-29-13-7-5-12(6-8-13)17-16-15(19(28)24-10-20(21,22)23)14-4-2-3-9-27(14)18(16)26-11-25-17/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyALSQNCSHBBVGPH-UHFFFAOYSA-N
XLogP3.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide (CID 97442208) is 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide is COc1ccc(-c2ncnc3c2c(C(=O)NCC(F)(F)F)c2ccccn23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The InChIKey is ALSQNCSHBBVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-29-13-7-5-12(6-8-13)17-16-15(19(28)24-10-20(21,22)23)14-4-2-3-9-27(14)18(16)26-11-25-17/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide is sourced from PubChem (CID 97442208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).