N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

About N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 91278544) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name	N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID	91278544
Molecular Formula	C22H23N9O2
Molecular Weight	445.49 g/mol
Exact Mass	445.20
IUPAC Name	N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILES	[H]/N=C(/Cc1ccc2nc(NC(=O)C3CC3)cn2n1)N1C=C(c2n[nH]c(COC)n2)C=CC1=C
InChI	InChI=1S/C22H23N9O2/c1-13-3-4-15(21-25-19(12-33-2)27-28-21)10-30(13)17(23)9-16-7-8-20-24-18(11-31(20)29-16)26-22(32)14-5-6-14/h3-4,7-8,10-11,14,23H,1,5-6,9,12H2,2H3,(H,26,32)(H,25,27,28)/b23-17-
InChIKey	RMEQHTBWHXYTRP-QJOMJCCJSA-N
XLogP	2.29
TPSA	137.18 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 91278544) is N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is [H]/N=C(/Cc1ccc2nc(NC(=O)C3CC3)cn2n1)N1C=C(c2n[nH]c(COC)n2)C=CC1=C.

What is the InChIKey of N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is RMEQHTBWHXYTRP-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H23N9O2/c1-13-3-4-15(21-25-19(12-33-2)27-28-21)10-30(13)17(23)9-16-7-8-20-24-18(11-31(20)29-16)26-22(32)14-5-6-14/h3-4,7-8,10-11,14,23H,1,5-6,9,12H2,2H3,(H,26,32)(H,25,27,28)/b23-17-.

What are the key properties of N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 445.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-imino-2-[5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-methylidene-1-pyridinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91278544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).