N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C23H21N9OS — CID 59233067

IUPACN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C23H21N9OS/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,26,33)
InChIKeyLHCUSVQNCYYIHU-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.40
Rot. Bonds6

About N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233067) has the molecular formula C23H21N9OS and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233067
Molecular FormulaC23H21N9OS
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C23H21N9OS/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,26,33)
InChIKeyLHCUSVQNCYYIHU-UHFFFAOYSA-N
XLogP3.40
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233067) is N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is LHCUSVQNCYYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9OS/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,26,33).
What are the key properties of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).