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

C65H75N9O8 — CID 139395061

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7c(-c8ccc(N9CCOCC9)cc8)ccn67)CCO5)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C65H75N9O8/c1-39-30-41(3)68-64(77)56(39)35-66-62(75)54-33-58-52(47-12-14-49(15-13-47)71-22-27-80-28-23-71)16-18-73(58)61(44(54)6)46(8)72-24-29-81-51(37-72)38-82-50-11-9-10-48(32-50)53-17-19-74-59(53)34-55(43(5)60(74)45(7)70-20-25-79-26-21-70)63(76)67-36-57-40(2)31-42(4)69-65(57)78/h9-19,30-34,45-46,51H,20-29,35-38H2,1-8H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)
InChIKeyWLQZZZPSGDFGCU-UHFFFAOYSA-N
MW1110.37 g/mol
LogP8.68
Rot. Bonds16

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (PubChem CID 139395061) has the molecular formula C65H75N9O8 and a molecular weight of 1110.37 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
PubChem CID139395061
Molecular FormulaC65H75N9O8
Molecular Weight1110.37 g/mol
Exact Mass1109.57
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7c(-c8ccc(N9CCOCC9)cc8)ccn67)CCO5)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C65H75N9O8/c1-39-30-41(3)68-64(77)56(39)35-66-62(75)54-33-58-52(47-12-14-49(15-13-47)71-22-27-80-28-23-71)16-18-73(58)61(44(54)6)46(8)72-24-29-81-51(37-72)38-82-50-11-9-10-48(32-50)53-17-19-74-59(53)34-55(43(5)60(74)45(7)70-20-25-79-26-21-70)63(76)67-36-57-40(2)31-42(4)69-65(57)78/h9-19,30-34,45-46,51H,20-29,35-38H2,1-8H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)
InChIKeyWLQZZZPSGDFGCU-UHFFFAOYSA-N
XLogP8.68
TPSA179.38 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.37
LogP ≤ 58.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide (CID 139395061) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(OCC5CN(C(C)c6c(C)c(C(=O)NCc7c(C)cc(C)[nH]c7=O)cc7c(-c8ccc(N9CCOCC9)cc8)ccn67)CCO5)c4)ccn3c(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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
The InChIKey is WLQZZZPSGDFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H75N9O8/c1-39-30-41(3)68-64(77)56(39)35-66-62(75)54-33-58-52(47-12-14-49(15-13-47)71-22-27-80-28-23-71)16-18-73(58)61(44(54)6)46(8)72-24-29-81-51(37-72)38-82-50-11-9-10-48(32-50)53-17-19-74-59(53)34-55(43(5)60(74)45(7)70-20-25-79-26-21-70)63(76)67-36-57-40(2)31-42(4)69-65(57)78/h9-19,30-34,45-46,51H,20-29,35-38H2,1-8H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide has a molecular weight of 1110.37 g/mol, XLogP of 8.68, 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-[[3-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-1-yl]phenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-1-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide is sourced from PubChem (CID 139395061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).