N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide

C32H41N7O3 — CID 156907499

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C4CCNCC4)c3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C32H41N7O3/c1-20-13-21(2)36-32(41)29(20)17-34-31(40)28-15-27-14-24(25-16-35-39(19-25)26-5-7-33-8-6-26)18-38(27)30(22(28)3)23(4)37-9-11-42-12-10-37/h13-16,18-19,23,26,29,33H,5-12,17H2,1-4H3,(H,34,40)
InChIKeyOJLHJWMBQHTNKK-UHFFFAOYSA-N
MW571.73 g/mol
LogP3.72
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide (PubChem CID 156907499) has the molecular formula C32H41N7O3 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide
PubChem CID156907499
Molecular FormulaC32H41N7O3
Molecular Weight571.73 g/mol
Exact Mass571.33
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C4CCNCC4)c3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C32H41N7O3/c1-20-13-21(2)36-32(41)29(20)17-34-31(40)28-15-27-14-24(25-16-35-39(19-25)26-5-7-33-8-6-26)18-38(27)30(22(28)3)23(4)37-9-11-42-12-10-37/h13-16,18-19,23,26,29,33H,5-12,17H2,1-4H3,(H,34,40)
InChIKeyOJLHJWMBQHTNKK-UHFFFAOYSA-N
XLogP3.72
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide (CID 156907499) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C4CCNCC4)c3)cn2c(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide?
The InChIKey is OJLHJWMBQHTNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O3/c1-20-13-21(2)36-32(41)29(20)17-34-31(40)28-15-27-14-24(25-16-35-39(19-25)26-5-7-33-8-6-26)18-38(27)30(22(28)3)23(4)37-9-11-42-12-10-37/h13-16,18-19,23,26,29,33H,5-12,17H2,1-4H3,(H,34,40).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1-piperidin-4-ylpyrazol-4-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).