(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

C20H21N7O — CID 155683277

IUPAC(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nn3c(-c4ccn[nH]4)cnc23)cn1
InChIInChI=1S/C20H21N7O/c1-13-3-4-15(10-21-13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(11-22-20(16)27)17-5-6-23-24-17/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyYWVSGIUSNQSLIG-CQSZACIVSA-N
MW375.44 g/mol
LogP2.71
Rot. Bonds3

About (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine

(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (PubChem CID 155683277) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
PubChem CID155683277
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nn3c(-c4ccn[nH]4)cnc23)cn1
InChIInChI=1S/C20H21N7O/c1-13-3-4-15(10-21-13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(11-22-20(16)27)17-5-6-23-24-17/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyYWVSGIUSNQSLIG-CQSZACIVSA-N
XLogP2.71
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine (CID 155683277) is (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is Cc1ccc(-c2cc(N3CCOC[C@H]3C)nn3c(-c4ccn[nH]4)cnc23)cn1.
What is the InChIKey of (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
The InChIKey is YWVSGIUSNQSLIG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-3-4-15(10-21-13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(11-22-20(16)27)17-5-6-23-24-17/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine?
(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 155683277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).