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

C55H62F6N12O3 — CID 134340972

IUPACN-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(CCc2cc(C)c(CNC(=O)c3cc4c(-c5ccc(N)nc5)ccn4c(C(C)N4CCN(CC(F)(F)F)CC4)c3C)c(=O)[nH]2)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C55H62F6N12O3/c1-32-24-39(8-9-45(71-22-18-69(19-23-71)31-55(59,60)61)51-33(2)42(36(5)74)25-46-40(13-15-73(46)51)37-6-10-48(62)64-27-37)67-53(76)44(32)29-66-52(75)43-26-47-41(38-7-11-49(63)65-28-38)12-14-72(47)50(34(43)3)35(4)70-20-16-68(17-21-70)30-54(56,57)58/h6-7,10-15,24-28,35,45H,8-9,16-23,29-31H2,1-5H3,(H2,62,64)(H2,63,65)(H,66,75)(H,67,76)
InChIKeyRSUJKRNXDGNULB-UHFFFAOYSA-N
MW1053.17 g/mol
LogP8.32
Rot. Bonds15

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

N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 134340972) has the molecular formula C55H62F6N12O3 and a molecular weight of 1053.17 g/mol. Its IUPAC name is N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID134340972
Molecular FormulaC55H62F6N12O3
Molecular Weight1053.17 g/mol
Exact Mass1052.50
IUPAC NameN-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(CCc2cc(C)c(CNC(=O)c3cc4c(-c5ccc(N)nc5)ccn4c(C(C)N4CCN(CC(F)(F)F)CC4)c3C)c(=O)[nH]2)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C55H62F6N12O3/c1-32-24-39(8-9-45(71-22-18-69(19-23-71)31-55(59,60)61)51-33(2)42(36(5)74)25-46-40(13-15-73(46)51)37-6-10-48(62)64-27-37)67-53(76)44(32)29-66-52(75)43-26-47-41(38-7-11-49(63)65-28-38)12-14-72(47)50(34(43)3)35(4)70-20-16-68(17-21-70)30-54(56,57)58/h6-7,10-15,24-28,35,45H,8-9,16-23,29-31H2,1-5H3,(H2,62,64)(H2,63,65)(H,66,75)(H,67,76)
InChIKeyRSUJKRNXDGNULB-UHFFFAOYSA-N
XLogP8.32
TPSA178.63 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.17
LogP ≤ 58.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-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 N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 134340972) is N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(CCc2cc(C)c(CNC(=O)c3cc4c(-c5ccc(N)nc5)ccn4c(C(C)N4CCN(CC(F)(F)F)CC4)c3C)c(=O)[nH]2)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is RSUJKRNXDGNULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62F6N12O3/c1-32-24-39(8-9-45(71-22-18-69(19-23-71)31-55(59,60)61)51-33(2)42(36(5)74)25-46-40(13-15-73(46)51)37-6-10-48(62)64-27-37)67-53(76)44(32)29-66-52(75)43-26-47-41(38-7-11-49(63)65-28-38)12-14-72(47)50(34(43)3)35(4)70-20-16-68(17-21-70)30-54(56,57)58/h6-7,10-15,24-28,35,45H,8-9,16-23,29-31H2,1-5H3,(H2,62,64)(H2,63,65)(H,66,75)(H,67,76).
What are the key properties of N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 1053.17 g/mol, XLogP of 8.32, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 134340972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).