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

C19H19N7O3S — CID 59233127

IUPACN-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H19N7O3S/c27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12/h4-7,10-12,27H,1-3,8-9H2,(H,21,28)
InChIKeyMPLQQINHFDNVAL-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.03
Rot. Bonds8

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

N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233127) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[6-[[6-(3-hydroxypropoxy)-[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-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233127
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H19N7O3S/c27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12/h4-7,10-12,27H,1-3,8-9H2,(H,21,28)
InChIKeyMPLQQINHFDNVAL-UHFFFAOYSA-N
XLogP2.03
TPSA118.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[6-[[6-(3-hydroxypropoxy)-[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-(3-hydroxypropoxy)-[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-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233127) is N-[6-[[6-(3-hydroxypropoxy)-[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-(3-hydroxypropoxy)-[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-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is MPLQQINHFDNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12/h4-7,10-12,27H,1-3,8-9H2,(H,21,28).
What are the key properties of N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).