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

C16H12ClN7OS — CID 46175028

IUPACN-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1)C1CC1
InChIInChI=1S/C16H12ClN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25)
InChIKeyGZMBHSVIOOMWLE-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.93
Rot. Bonds4

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

N-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 46175028) has the molecular formula C16H12ClN7OS and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[6-[(6-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID46175028
Molecular FormulaC16H12ClN7OS
Molecular Weight385.84 g/mol
Exact Mass385.05
IUPAC NameN-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1)C1CC1
InChIInChI=1S/C16H12ClN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25)
InChIKeyGZMBHSVIOOMWLE-UHFFFAOYSA-N
XLogP2.93
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 46175028) is N-[6-[(6-chloro-[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-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is GZMBHSVIOOMWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25).
What are the key properties of N-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 385.84 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46175028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).