1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C33H39F3N6O3 — CID 156907635

IUPAC1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)N=C(C)C=C4OC)cc23)ccn1
InChIInChI=1S/C33H39F3N6O3/c1-6-24-16-23(7-9-37-24)25-8-10-42-28(25)17-26(31(43)38-18-27-29(45-5)15-20(2)39-32(27)44)21(3)30(42)22(4)41-13-11-40(12-14-41)19-33(34,35)36/h7-10,15-17,22,27H,6,11-14,18-19H2,1-5H3,(H,38,43)
InChIKeyQZUKZBRPTPZYBT-UHFFFAOYSA-N
MW624.71 g/mol
LogP4.99
Rot. Bonds9

About 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907635) has the molecular formula C33H39F3N6O3 and a molecular weight of 624.71 g/mol. Its IUPAC name is 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907635
Molecular FormulaC33H39F3N6O3
Molecular Weight624.71 g/mol
Exact Mass624.30
IUPAC Name1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)N=C(C)C=C4OC)cc23)ccn1
InChIInChI=1S/C33H39F3N6O3/c1-6-24-16-23(7-9-37-24)25-8-10-42-28(25)17-26(31(43)38-18-27-29(45-5)15-20(2)39-32(27)44)21(3)30(42)22(4)41-13-11-40(12-14-41)19-33(34,35)36/h7-10,15-17,22,27H,6,11-14,18-19H2,1-5H3,(H,38,43)
InChIKeyQZUKZBRPTPZYBT-UHFFFAOYSA-N
XLogP4.99
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.71
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907635) is 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)N=C(C)C=C4OC)cc23)ccn1.
What is the InChIKey of 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is QZUKZBRPTPZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N6O3/c1-6-24-16-23(7-9-37-24)25-8-10-42-28(25)17-26(31(43)38-18-27-29(45-5)15-20(2)39-32(27)44)21(3)30(42)22(4)41-13-11-40(12-14-41)19-33(34,35)36/h7-10,15-17,22,27H,6,11-14,18-19H2,1-5H3,(H,38,43).
What are the key properties of 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 624.71 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).