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

C19H15N9OS — CID 59232992

IUPACN-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncc[nH]5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H15N9OS/c29-18(11-1-2-11)23-13-10-28-14(22-13)5-6-16(26-28)30-19-25-24-15-4-3-12(9-27(15)19)17-20-7-8-21-17/h3-11H,1-2H2,(H,20,21)(H,23,29)
InChIKeyWNMPGIIMDJVCNA-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.66
Rot. Bonds5

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

N-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59232992) has the molecular formula C19H15N9OS and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[6-[[6-(1H-imidazol-2-yl)-[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-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59232992
Molecular FormulaC19H15N9OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC NameN-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncc[nH]5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H15N9OS/c29-18(11-1-2-11)23-13-10-28-14(22-13)5-6-16(26-28)30-19-25-24-15-4-3-12(9-27(15)19)17-20-7-8-21-17/h3-11H,1-2H2,(H,20,21)(H,23,29)
InChIKeyWNMPGIIMDJVCNA-UHFFFAOYSA-N
XLogP2.66
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[[6-(1H-imidazol-2-yl)-[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-(1H-imidazol-2-yl)-[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-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59232992) is N-[6-[[6-(1H-imidazol-2-yl)-[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-(1H-imidazol-2-yl)-[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-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncc[nH]5)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is WNMPGIIMDJVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N9OS/c29-18(11-1-2-11)23-13-10-28-14(22-13)5-6-16(26-28)30-19-25-24-15-4-3-12(9-27(15)19)17-20-7-8-21-17/h3-11H,1-2H2,(H,20,21)(H,23,29).
What are the key properties of N-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 417.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(1H-imidazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59232992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).