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

C31H34N4O5 — CID 139311457

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H34N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,11-14,16,21H,7-10,15,17H2,1-4H3,(H,32,36)(H,33,37)
InChIKeyRDCVRRFQYGKDPO-UHFFFAOYSA-N
MW542.64 g/mol
LogP4.27
Rot. Bonds6

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

2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 139311457) has the molecular formula C31H34N4O5 and a molecular weight of 542.64 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID139311457
Molecular FormulaC31H34N4O5
Molecular Weight542.64 g/mol
Exact Mass542.25
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H34N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,11-14,16,21H,7-10,15,17H2,1-4H3,(H,32,36)(H,33,37)
InChIKeyRDCVRRFQYGKDPO-UHFFFAOYSA-N
XLogP4.27
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-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 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 139311457) is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is RDCVRRFQYGKDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,11-14,16,21H,7-10,15,17H2,1-4H3,(H,32,36)(H,33,37).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 139311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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