N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C27H36N6O3 — CID 156907564

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ncc[nH]3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C27H36N6O3/c1-16-11-17(2)31-27(35)23(16)14-30-26(34)22-13-21-12-20(25-28-5-6-29-25)15-33(21)24(18(22)3)19(4)32-7-9-36-10-8-32/h5-6,12-13,15-17,19,23H,7-11,14H2,1-4H3,(H,28,29)(H,30,34)(H,31,35)
InChIKeyBQNDDNLGMVTIMM-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.92
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907564) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID156907564
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ncc[nH]3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C27H36N6O3/c1-16-11-17(2)31-27(35)23(16)14-30-26(34)22-13-21-12-20(25-28-5-6-29-25)15-33(21)24(18(22)3)19(4)32-7-9-36-10-8-32/h5-6,12-13,15-17,19,23H,7-11,14H2,1-4H3,(H,28,29)(H,30,34)(H,31,35)
InChIKeyBQNDDNLGMVTIMM-UHFFFAOYSA-N
XLogP2.92
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907564) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ncc[nH]3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is BQNDDNLGMVTIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-16-11-17(2)31-27(35)23(16)14-30-26(34)22-13-21-12-20(25-28-5-6-29-25)15-33(21)24(18(22)3)19(4)32-7-9-36-10-8-32/h5-6,12-13,15-17,19,23H,7-11,14H2,1-4H3,(H,28,29)(H,30,34)(H,31,35).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).