(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine

C20H21N7O — CID 163283575

IUPAC(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
SMILESCc1cnccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)ncc12
InChIInChI=1S/C20H21N7O/c1-13-10-21-5-3-15(13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(16)11-22-20(27)17-4-6-23-24-17/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeySAPPUXUHMIIGSC-CQSZACIVSA-N
MW375.44 g/mol
LogP2.71
Rot. Bonds3

About (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine

(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine (PubChem CID 163283575) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
PubChem CID163283575
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
SMILESCc1cnccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)ncc12
InChIInChI=1S/C20H21N7O/c1-13-10-21-5-3-15(13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(16)11-22-20(27)17-4-6-23-24-17/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeySAPPUXUHMIIGSC-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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Related Compounds

(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
4-[4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine
CID 155439019
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130229064
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 130245734
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine (CID 163283575) is (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine is Cc1cnccc1-c1cc(N2CCOC[C@H]2C)nn2c(-c3ccn[nH]3)ncc12.
What is the InChIKey of (3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine?
The InChIKey is SAPPUXUHMIIGSC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-10-21-5-3-15(13)16-9-19(26-7-8-28-12-14(26)2)25-27-18(16)11-22-20(27)17-4-6-23-24-17/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-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-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-[4-(3-methyl-4-pyridinyl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]morpholine is sourced from PubChem (CID 163283575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).