6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine

C20H23FN6O — CID 170630919

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cc(C)cc(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1CC1
InChIInChI=1S/C20H23FN6O/c1-11-5-14(24-18(6-11)25-15-9-22-8-13(15)21)16-10-23-19-7-17(28-2)20(12-3-4-12)26-27(16)19/h5-7,10,12-13,15,22H,3-4,8-9H2,1-2H3,(H,24,25)/t13-,15-/m0/s1
InChIKeyVGJBOHKUODTZOE-ZFWWWQNUSA-N
MW382.44 g/mol
LogP2.71
Rot. Bonds5

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 170630919) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID170630919
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cc(C)cc(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1CC1
InChIInChI=1S/C20H23FN6O/c1-11-5-14(24-18(6-11)25-15-9-22-8-13(15)21)16-10-23-19-7-17(28-2)20(12-3-4-12)26-27(16)19/h5-7,10,12-13,15,22H,3-4,8-9H2,1-2H3,(H,24,25)/t13-,15-/m0/s1
InChIKeyVGJBOHKUODTZOE-ZFWWWQNUSA-N
XLogP2.71
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 170630919) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine is COc1cc2ncc(-c3cc(C)cc(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1CC1.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is VGJBOHKUODTZOE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-11-5-14(24-18(6-11)25-15-9-22-8-13(15)21)16-10-23-19-7-17(28-2)20(12-3-4-12)26-27(16)19/h5-7,10,12-13,15,22H,3-4,8-9H2,1-2H3,(H,24,25)/t13-,15-/m0/s1.
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 170630919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).