4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide

C25H17F3N4O2 — CID 39071247

IUPAC4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
SMILESCOc1ccc(-c2ncnc3c(C(=O)Nc4cccc(C(F)(F)F)c4)c4ccccn4c23)cc1
InChIInChI=1S/C25H17F3N4O2/c1-34-18-10-8-15(9-11-18)21-23-22(30-14-29-21)20(19-7-2-3-12-32(19)23)24(33)31-17-6-4-5-16(13-17)25(26,27)28/h2-14H,1H3,(H,31,33)
InChIKeyUFGBPEJSUFDWRJ-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.83
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide

4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide (PubChem CID 39071247) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
PubChem CID39071247
Molecular FormulaC25H17F3N4O2
Molecular Weight462.43 g/mol
Exact Mass462.13
IUPAC Name4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
SMILESCOc1ccc(-c2ncnc3c(C(=O)Nc4cccc(C(F)(F)F)c4)c4ccccn4c23)cc1
InChIInChI=1S/C25H17F3N4O2/c1-34-18-10-8-15(9-11-18)21-23-22(30-14-29-21)20(19-7-2-3-12-32(19)23)24(33)31-17-6-4-5-16(13-17)25(26,27)28/h2-14H,1H3,(H,31,33)
InChIKeyUFGBPEJSUFDWRJ-UHFFFAOYSA-N
XLogP5.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-5-(1-methyl-1H-imidazol-4-yl)nicotinamide
CID 118167692
Bay 61-3606
CID 10200390
4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958720
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[9-methyl-6-[4-(trifluoromethoxy)phenyl]purin-2-yl]amino]benzamide
CID 118706742
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
CID 25210579
Bay-885
CID 134128280
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
TLX agonist 10
CID 162679531
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide (CID 39071247) is 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide is COc1ccc(-c2ncnc3c(C(=O)Nc4cccc(C(F)(F)F)c4)c4ccccn4c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The InChIKey is UFGBPEJSUFDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c1-34-18-10-8-15(9-11-18)21-23-22(30-14-29-21)20(19-7-2-3-12-32(19)23)24(33)31-17-6-4-5-16(13-17)25(26,27)28/h2-14H,1H3,(H,31,33).
What are the key properties of 4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 5.83, 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-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide is sourced from PubChem (CID 39071247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).