N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide

C65H74FN9O8 — CID 139394995

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7cc(-c8ccc(N9CCOCC9)cc8)cn67)CCO5)cc4F)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C65H74FN9O8/c1-38-25-40(3)69-64(78)57(38)32-67-62(76)55-29-50-27-47(46-9-11-49(12-10-46)72-17-22-81-23-18-72)34-74(50)61(43(55)6)45(8)73-19-24-82-53(36-73)37-83-52-13-14-54(59(66)31-52)48-28-51-30-56(63(77)68-33-58-39(2)26-41(4)70-65(58)79)42(5)60(75(51)35-48)44(7)71-15-20-80-21-16-71/h9-14,25-31,34-35,44-45,53H,15-24,32-33,36-37H2,1-8H3,(H,67,76)(H,68,77)(H,69,78)(H,70,79)
InChIKeyFVXQEPBUYLSSIF-UHFFFAOYSA-N
MW1128.36 g/mol
LogP8.82
Rot. Bonds16

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (PubChem CID 139394995) has the molecular formula C65H74FN9O8 and a molecular weight of 1128.36 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
PubChem CID139394995
Molecular FormulaC65H74FN9O8
Molecular Weight1128.36 g/mol
Exact Mass1127.56
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7cc(-c8ccc(N9CCOCC9)cc8)cn67)CCO5)cc4F)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C65H74FN9O8/c1-38-25-40(3)69-64(78)57(38)32-67-62(76)55-29-50-27-47(46-9-11-49(12-10-46)72-17-22-81-23-18-72)34-74(50)61(43(55)6)45(8)73-19-24-82-53(36-73)37-83-52-13-14-54(59(66)31-52)48-28-51-30-56(63(77)68-33-58-39(2)26-41(4)70-65(58)79)42(5)60(75(51)35-48)44(7)71-15-20-80-21-16-71/h9-14,25-31,34-35,44-45,53H,15-24,32-33,36-37H2,1-8H3,(H,67,76)(H,68,77)(H,69,78)(H,70,79)
InChIKeyFVXQEPBUYLSSIF-UHFFFAOYSA-N
XLogP8.82
TPSA179.38 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.36
LogP ≤ 58.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (CID 139394995) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7cc(-c8ccc(N9CCOCC9)cc8)cn67)CCO5)cc4F)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
The InChIKey is FVXQEPBUYLSSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H74FN9O8/c1-38-25-40(3)69-64(78)57(38)32-67-62(76)55-29-50-27-47(46-9-11-49(12-10-46)72-17-22-81-23-18-72)34-74(50)61(43(55)6)45(8)73-19-24-82-53(36-73)37-83-52-13-14-54(59(66)31-52)48-28-51-30-56(63(77)68-33-58-39(2)26-41(4)70-65(58)79)42(5)60(75(51)35-48)44(7)71-15-20-80-21-16-71/h9-14,25-31,34-35,44-45,53H,15-24,32-33,36-37H2,1-8H3,(H,67,76)(H,68,77)(H,69,78)(H,70,79).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide has a molecular weight of 1128.36 g/mol, XLogP of 8.82, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is sourced from PubChem (CID 139394995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).