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

C22H19N9OS — CID 59233104

IUPACN-[6-[[6-[6-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCNc1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C22H19N9OS/c1-23-16-6-4-14(10-24-16)15-5-7-19-27-28-22(30(19)11-15)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,24)(H,26,32)
InChIKeyLIXHXLXQZNFDCX-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.38
Rot. Bonds6

About N-[6-[[6-[6-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233104) has the molecular formula C22H19N9OS and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[6-[[6-[6-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233104
Molecular FormulaC22H19N9OS
Molecular Weight457.52 g/mol
Exact Mass457.14
IUPAC NameN-[6-[[6-[6-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCNc1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C22H19N9OS/c1-23-16-6-4-14(10-24-16)15-5-7-19-27-28-22(30(19)11-15)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,24)(H,26,32)
InChIKeyLIXHXLXQZNFDCX-UHFFFAOYSA-N
XLogP3.38
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-[6-(methylamino)-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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233104) is N-[6-[[6-[6-(methylamino)-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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CNc1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[[6-[6-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is LIXHXLXQZNFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9OS/c1-23-16-6-4-14(10-24-16)15-5-7-19-27-28-22(30(19)11-15)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,24)(H,26,32).
What are the key properties of N-[6-[[6-[6-(methylamino)-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-(methylamino)-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 457.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[6-(methylamino)-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 59233104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).