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

C19H25N5O — CID 126471944

IUPAC(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N(C)C)cc3)n2n1
InChIInChI=1S/C19H25N5O/c1-13(2)16(12-25)21-18-9-10-19-20-11-17(24(19)22-18)14-5-7-15(8-6-14)23(3)4/h5-11,13,16,25H,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyUVZZLTBUCWTFQJ-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.89
Rot. Bonds6

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

(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 126471944) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID126471944
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N(C)C)cc3)n2n1
InChIInChI=1S/C19H25N5O/c1-13(2)16(12-25)21-18-9-10-19-20-11-17(24(19)22-18)14-5-7-15(8-6-14)23(3)4/h5-11,13,16,25H,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyUVZZLTBUCWTFQJ-MRXNPFEDSA-N
XLogP2.89
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (CID 126471944) is (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N(C)C)cc3)n2n1.
What is the InChIKey of (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is UVZZLTBUCWTFQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)16(12-25)21-18-9-10-19-20-11-17(24(19)22-18)14-5-7-15(8-6-14)23(3)4/h5-11,13,16,25H,12H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 126471944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).