N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide

C19H20N6O2 — CID 118787828

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC2)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H20N6O2/c26-19(21-16-2-1-14-12-27-13-15(14)11-16)24-9-7-23(8-10-24)18-4-3-17-20-5-6-25(17)22-18/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKeyQZHPJQAUQVQZFT-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.11
Rot. Bonds2

About N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide

N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide (PubChem CID 118787828) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide
PubChem CID118787828
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC2)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C19H20N6O2/c26-19(21-16-2-1-14-12-27-13-15(14)11-16)24-9-7-23(8-10-24)18-4-3-17-20-5-6-25(17)22-18/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKeyQZHPJQAUQVQZFT-UHFFFAOYSA-N
XLogP2.11
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide
CID 131923117
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 126432065
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 126443604
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 77089008
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide (CID 118787828) is N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide is O=C(Nc1ccc2c(c1)COC2)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide?
The InChIKey is QZHPJQAUQVQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(21-16-2-1-14-12-27-13-15(14)11-16)24-9-7-23(8-10-24)18-4-3-17-20-5-6-25(17)22-18/h1-6,11H,7-10,12-13H2,(H,21,26).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 118787828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).