(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol

C19H24N4O3 — CID 58857690

IUPAC(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cc1OC
InChIInChI=1S/C19H24N4O3/c1-12(2)14(11-24)21-18-7-8-19-20-10-15(23(19)22-18)13-5-6-16(25-3)17(9-13)26-4/h5-10,12,14,24H,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyLEPBLXHGZPIKST-CQSZACIVSA-N
MW356.43 g/mol
LogP2.84
Rot. Bonds7

About (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 58857690) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID58857690
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cc1OC
InChIInChI=1S/C19H24N4O3/c1-12(2)14(11-24)21-18-7-8-19-20-10-15(23(19)22-18)13-5-6-16(25-3)17(9-13)26-4/h5-10,12,14,24H,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyLEPBLXHGZPIKST-CQSZACIVSA-N
XLogP2.84
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (CID 58857690) is (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is COc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cc1OC.
What is the InChIKey of (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is LEPBLXHGZPIKST-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)14(11-24)21-18-7-8-19-20-10-15(23(19)22-18)13-5-6-16(25-3)17(9-13)26-4/h5-10,12,14,24H,11H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 58857690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).