[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

C17H20N4O — CID 136586862

IUPAC[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESO=C(c1cnc2cccnn12)N1C[C@H](C2CC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H20N4O/c22-17(15-9-18-16-2-1-7-19-21(15)16)20-10-13(11-3-4-11)8-14(20)12-5-6-12/h1-2,7,9,11-14H,3-6,8,10H2/t13-,14-/m1/s1
InChIKeyRNXPVHVTAQDWFH-ZIAGYGMSSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds3

About [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (PubChem CID 136586862) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
PubChem CID136586862
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESO=C(c1cnc2cccnn12)N1C[C@H](C2CC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H20N4O/c22-17(15-9-18-16-2-1-7-19-21(15)16)20-10-13(11-3-4-11)8-14(20)12-5-6-12/h1-2,7,9,11-14H,3-6,8,10H2/t13-,14-/m1/s1
InChIKeyRNXPVHVTAQDWFH-ZIAGYGMSSA-N
XLogP2.38
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-Fluorocyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 68077233
6-[2-(Trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89527290
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-(3,3-difluoropyrrolidin-1-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 132110967
1-[6-[(2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 144344739
N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 146312363
N-[3-(difluoromethyl)-1-[4-(1-iodoethyl)cyclohexyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 156823353
N-[(S)-(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500031
N-[(S)-(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500071
N-[(S)-(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500071
N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500419
N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500443
6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166676603

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The IUPAC name of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (CID 136586862) is [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.
What is the SMILES notation for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The canonical SMILES for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is O=C(c1cnc2cccnn12)N1C[C@H](C2CC2)C[C@@H]1C1CC1.
What is the InChIKey of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The InChIKey is RNXPVHVTAQDWFH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(15-9-18-16-2-1-7-19-21(15)16)20-10-13(11-3-4-11)8-14(20)12-5-6-12/h1-2,7,9,11-14H,3-6,8,10H2/t13-,14-/m1/s1.
What are the key properties of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is sourced from PubChem (CID 136586862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).