6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide

C21H17N5O — CID 66940711

IUPAC6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccc(N3Cc4ccccc4C3)nn12
InChIInChI=1S/C21H17N5O/c27-21(23-17-8-2-1-3-9-17)18-12-22-19-10-11-20(24-26(18)19)25-13-15-6-4-5-7-16(15)14-25/h1-12H,13-14H2,(H,23,27)
InChIKeyNVHAJXMVDDZYDS-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.50
Rot. Bonds3

About 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide

6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66940711) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID66940711
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccc(N3Cc4ccccc4C3)nn12
InChIInChI=1S/C21H17N5O/c27-21(23-17-8-2-1-3-9-17)18-12-22-19-10-11-20(24-26(18)19)25-13-15-6-4-5-7-16(15)14-25/h1-12H,13-14H2,(H,23,27)
InChIKeyNVHAJXMVDDZYDS-UHFFFAOYSA-N
XLogP3.50
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940922
6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 135201828
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
N-(5-fluoro-3-pyridinyl)-6-(2-methylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123594424
6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123772945
N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525583
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123164219
N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166720707
acetylene;6-(4-methyl-1,4-diazepan-1-yl)-N-[(Z)-5-methyliminopent-3-enyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 176993311
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide (CID 66940711) is 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1cnc2ccc(N3Cc4ccccc4C3)nn12.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NVHAJXMVDDZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(23-17-8-2-1-3-9-17)18-12-22-19-10-11-20(24-26(18)19)25-13-15-6-4-5-7-16(15)14-25/h1-12H,13-14H2,(H,23,27).
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide?
6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).