N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

C24H19N7O — CID 153392577

IUPACN-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2N=CCC2c2ccncc2)cc1C#Cc1cnc2cccnn12
InChIInChI=1S/C24H19N7O/c1-17-4-6-20(15-19(17)5-7-21-16-26-23-3-2-11-27-30(21)23)29-24(32)31-22(10-14-28-31)18-8-12-25-13-9-18/h2-4,6,8-9,11-16,22H,10H2,1H3,(H,29,32)
InChIKeyBLIKXZMORTUWNF-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.80
Rot. Bonds2

About N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 153392577) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID153392577
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC NameN-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2N=CCC2c2ccncc2)cc1C#Cc1cnc2cccnn12
InChIInChI=1S/C24H19N7O/c1-17-4-6-20(15-19(17)5-7-21-16-26-23-3-2-11-27-30(21)23)29-24(32)31-22(10-14-28-31)18-8-12-25-13-9-18/h2-4,6,8-9,11-16,22H,10H2,1H3,(H,29,32)
InChIKeyBLIKXZMORTUWNF-UHFFFAOYSA-N
XLogP3.80
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (CID 153392577) is N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(NC(=O)N2N=CCC2c2ccncc2)cc1C#Cc1cnc2cccnn12.
What is the InChIKey of N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BLIKXZMORTUWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-17-4-6-20(15-19(17)5-7-21-16-26-23-3-2-11-27-30(21)23)29-24(32)31-22(10-14-28-31)18-8-12-25-13-9-18/h2-4,6,8-9,11-16,22H,10H2,1H3,(H,29,32).
What are the key properties of N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 153392577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).