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

C29H36N6O3 — CID 156907566

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCCn1nccc1-c1cc2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c(C)c(C(C)N3CCOCC3)n2c1
InChIInChI=1S/C29H36N6O3/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33/h7-8,13-15,17,21,25H,6,9-12,16H2,1-5H3,(H,30,36)
InChIKeyCMAJGDYJQRPSHL-UHFFFAOYSA-N
MW516.65 g/mol
LogP3.82
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907566) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID156907566
Molecular FormulaC29H36N6O3
Molecular Weight516.65 g/mol
Exact Mass516.28
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCCn1nccc1-c1cc2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c(C)c(C(C)N3CCOCC3)n2c1
InChIInChI=1S/C29H36N6O3/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33/h7-8,13-15,17,21,25H,6,9-12,16H2,1-5H3,(H,30,36)
InChIKeyCMAJGDYJQRPSHL-UHFFFAOYSA-N
XLogP3.82
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
PF-06764427, >=98% (Hplc)
CID 124203829
Ethyl 4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 5309075
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide
CID 10157758
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907566) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is CCn1nccc1-c1cc2cc(C(=O)NCC3C(=O)N=C(C)C=C3C)c(C)c(C(C)N3CCOCC3)n2c1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is CMAJGDYJQRPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33/h7-8,13-15,17,21,25H,6,9-12,16H2,1-5H3,(H,30,36).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).