6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine

C19H21FN6 — CID 164537055

IUPAC6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESCN1C[C@H](Nc2cccc(-c3cnc4cc(C5CC5)cnn34)n2)[C@@H](F)C1
InChIInChI=1S/C19H21FN6/c1-25-10-14(20)16(11-25)24-18-4-2-3-15(23-18)17-9-21-19-7-13(12-5-6-12)8-22-26(17)19/h2-4,7-9,12,14,16H,5-6,10-11H2,1H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyGTXKJDOROJLTGK-HOCLYGCPSA-N
MW352.42 g/mol
LogP2.73
Rot. Bonds4

About 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine

6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine (PubChem CID 164537055) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine
PubChem CID164537055
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESCN1C[C@H](Nc2cccc(-c3cnc4cc(C5CC5)cnn34)n2)[C@@H](F)C1
InChIInChI=1S/C19H21FN6/c1-25-10-14(20)16(11-25)24-18-4-2-3-15(23-18)17-9-21-19-7-13(12-5-6-12)8-22-26(17)19/h2-4,7-9,12,14,16H,5-6,10-11H2,1H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyGTXKJDOROJLTGK-HOCLYGCPSA-N
XLogP2.73
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine (CID 164537055) is 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine is CN1C[C@H](Nc2cccc(-c3cnc4cc(C5CC5)cnn34)n2)[C@@H](F)C1.
What is the InChIKey of 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is GTXKJDOROJLTGK-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H21FN6/c1-25-10-14(20)16(11-25)24-18-4-2-3-15(23-18)17-9-21-19-7-13(12-5-6-12)8-22-26(17)19/h2-4,7-9,12,14,16H,5-6,10-11H2,1H3,(H,23,24)/t14-,16-/m0/s1.
What are the key properties of 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine?
6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164537055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).