6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide

C24H29ClN4O4 — CID 86299770

IUPAC6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(Cl)c(C(C)C2CCOCC2)n2nc(C)ccc12
InChIInChI=1S/C24H29ClN4O4/c1-13-5-6-18-20(24(31)26-12-17-19(32-4)11-14(2)27-23(17)30)21(25)22(29(18)28-13)15(3)16-7-9-33-10-8-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyHHIZLVDKUHDFRO-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.76
Rot. Bonds6

About 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide

6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide (PubChem CID 86299770) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
PubChem CID86299770
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Name6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(Cl)c(C(C)C2CCOCC2)n2nc(C)ccc12
InChIInChI=1S/C24H29ClN4O4/c1-13-5-6-18-20(24(31)26-12-17-19(32-4)11-14(2)27-23(17)30)21(25)22(29(18)28-13)15(3)16-7-9-33-10-8-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyHHIZLVDKUHDFRO-UHFFFAOYSA-N
XLogP3.76
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide (CID 86299770) is 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(Cl)c(C(C)C2CCOCC2)n2nc(C)ccc12.
What is the InChIKey of 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The InChIKey is HHIZLVDKUHDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-13-5-6-18-20(24(31)26-12-17-19(32-4)11-14(2)27-23(17)30)21(25)22(29(18)28-13)15(3)16-7-9-33-10-8-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide is sourced from PubChem (CID 86299770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).