N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide

C64H73F6N13O7 — CID 162574369

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCNc1cc(-c2ccn3c([C@H](C)N4CCN(C(COc5cc(-c6ccn7c(C(C)N8CCN(CC(F)(F)F)CC8)c(C)c(C(=O)NCc8c(OC)cc(C)[nH]c8=O)cc67)ccn5)C(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
InChIInChI=1S/C64H73F6N13O7/c1-36-26-52(88-8)48(61(86)76-36)32-74-59(84)46-30-50-44(42-10-14-72-55(28-42)71-7)12-16-82(50)58(39(46)4)41(6)80-22-24-81(25-23-80)54(64(68,69)70)34-90-56-29-43(11-15-73-56)45-13-17-83-51(45)31-47(60(85)75-33-49-53(89-9)27-37(2)77-62(49)87)38(3)57(83)40(5)79-20-18-78(19-21-79)35-63(65,66)67/h10-17,26-31,40-41,54H,18-25,32-35H2,1-9H3,(H,71,72)(H,74,84)(H,75,85)(H,76,86)(H,77,87)/t40?,41-,54?/m0/s1
InChIKeyPDJDFSTUERPWHP-MFWZHHCTSA-N
MW1250.36 g/mol
LogP8.77
Rot. Bonds20

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 162574369) has the molecular formula C64H73F6N13O7 and a molecular weight of 1250.36 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID162574369
Molecular FormulaC64H73F6N13O7
Molecular Weight1250.36 g/mol
Exact Mass1249.57
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCNc1cc(-c2ccn3c([C@H](C)N4CCN(C(COc5cc(-c6ccn7c(C(C)N8CCN(CC(F)(F)F)CC8)c(C)c(C(=O)NCc8c(OC)cc(C)[nH]c8=O)cc67)ccn5)C(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
InChIInChI=1S/C64H73F6N13O7/c1-36-26-52(88-8)48(61(86)76-36)32-74-59(84)46-30-50-44(42-10-14-72-55(28-42)71-7)12-16-82(50)58(39(46)4)41(6)80-22-24-81(25-23-80)54(64(68,69)70)34-90-56-29-43(11-15-73-56)45-13-17-83-51(45)31-47(60(85)75-33-49-53(89-9)27-37(2)77-62(49)87)38(3)57(83)40(5)79-20-18-78(19-21-79)35-63(65,66)67/h10-17,26-31,40-41,54H,18-25,32-35H2,1-9H3,(H,71,72)(H,74,84)(H,75,85)(H,76,86)(H,77,87)/t40?,41-,54?/m0/s1
InChIKeyPDJDFSTUERPWHP-MFWZHHCTSA-N
XLogP8.77
TPSA211.20 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.36
LogP ≤ 58.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 162574369) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide is CNc1cc(-c2ccn3c([C@H](C)N4CCN(C(COc5cc(-c6ccn7c(C(C)N8CCN(CC(F)(F)F)CC8)c(C)c(C(=O)NCc8c(OC)cc(C)[nH]c8=O)cc67)ccn5)C(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is PDJDFSTUERPWHP-MFWZHHCTSA-N. The full InChI is InChI=1S/C64H73F6N13O7/c1-36-26-52(88-8)48(61(86)76-36)32-74-59(84)46-30-50-44(42-10-14-72-55(28-42)71-7)12-16-82(50)58(39(46)4)41(6)80-22-24-81(25-23-80)54(64(68,69)70)34-90-56-29-43(11-15-73-56)45-13-17-83-51(45)31-47(60(85)75-33-49-53(89-9)27-37(2)77-62(49)87)38(3)57(83)40(5)79-20-18-78(19-21-79)35-63(65,66)67/h10-17,26-31,40-41,54H,18-25,32-35H2,1-9H3,(H,71,72)(H,74,84)(H,75,85)(H,76,86)(H,77,87)/t40?,41-,54?/m0/s1.
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 1250.36 g/mol, XLogP of 8.77, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-[1,1,1-trifluoro-3-[[4-[7-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizin-1-yl]-2-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 162574369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).