N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide

C24H24N4O2 — CID 146487737

IUPACN-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1
InChIInChI=1S/C24H24N4O2/c1-24(2,30)16-26-23(29)21-15-20(22-4-3-13-28(22)27-21)14-17-5-7-18(8-6-17)19-9-11-25-12-10-19/h3-13,15,30H,14,16H2,1-2H3,(H,26,29)
InChIKeyOWAVBTLKFYOIOV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.49
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 146487737) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID146487737
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1
InChIInChI=1S/C24H24N4O2/c1-24(2,30)16-26-23(29)21-15-20(22-4-3-13-28(22)27-21)14-17-5-7-18(8-6-17)19-9-11-25-12-10-19/h3-13,15,30H,14,16H2,1-2H3,(H,26,29)
InChIKeyOWAVBTLKFYOIOV-UHFFFAOYSA-N
XLogP3.49
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide (CID 146487737) is N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide is CC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is OWAVBTLKFYOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2,30)16-26-23(29)21-15-20(22-4-3-13-28(22)27-21)14-17-5-7-18(8-6-17)19-9-11-25-12-10-19/h3-13,15,30H,14,16H2,1-2H3,(H,26,29).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 146487737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).