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

C17H21N5O2 — CID 126469562

IUPAC(2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cn1
InChIInChI=1S/C17H21N5O2/c1-11(2)13(10-23)20-15-5-6-16-18-9-14(22(16)21-15)12-4-7-17(24-3)19-8-12/h4-9,11,13,23H,10H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMKYVQDVKDASORN-CYBMUJFWSA-N
MW327.39 g/mol
LogP2.23
Rot. Bonds6

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

(2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 126469562) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID126469562
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cn1
InChIInChI=1S/C17H21N5O2/c1-11(2)13(10-23)20-15-5-6-16-18-9-14(22(16)21-15)12-4-7-17(24-3)19-8-12/h4-9,11,13,23H,10H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMKYVQDVKDASORN-CYBMUJFWSA-N
XLogP2.23
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol (CID 126469562) is (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is COc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)cn1.
What is the InChIKey of (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is MKYVQDVKDASORN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)13(10-23)20-15-5-6-16-18-9-14(22(16)21-15)12-4-7-17(24-3)19-8-12/h4-9,11,13,23H,10H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 126469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).