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

C23H21N9O — CID 59233203

IUPACN-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3nnc(C4(c5ccc6nc(NC(=O)C7CC7)cn6n5)CC4)n3c2)cn1
InChIInChI=1S/C23H21N9O/c1-30-11-16(10-24-30)15-4-6-20-27-28-22(31(20)12-15)23(8-9-23)17-5-7-19-25-18(13-32(19)29-17)26-21(33)14-2-3-14/h4-7,10-14H,2-3,8-9H2,1H3,(H,26,33)
InChIKeyILDLFGOSTKVZJV-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.60
Rot. Bonds5

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

N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233203) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233203
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC NameN-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3nnc(C4(c5ccc6nc(NC(=O)C7CC7)cn6n5)CC4)n3c2)cn1
InChIInChI=1S/C23H21N9O/c1-30-11-16(10-24-30)15-4-6-20-27-28-22(31(20)12-15)23(8-9-23)17-5-7-19-25-18(13-32(19)29-17)26-21(33)14-2-3-14/h4-7,10-14H,2-3,8-9H2,1H3,(H,26,33)
InChIKeyILDLFGOSTKVZJV-UHFFFAOYSA-N
XLogP2.60
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]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-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233203) is N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cn1cc(-c2ccc3nnc(C4(c5ccc6nc(NC(=O)C7CC7)cn6n5)CC4)n3c2)cn1.
What is the InChIKey of N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is ILDLFGOSTKVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c1-30-11-16(10-24-30)15-4-6-20-27-28-22(31(20)12-15)23(8-9-23)17-5-7-19-25-18(13-32(19)29-17)26-21(33)14-2-3-14/h4-7,10-14H,2-3,8-9H2,1H3,(H,26,33).
What are the key properties of N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).