3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one

C19H25N7O2 — CID 167660757

IUPAC3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one
SMILESC[C@@H]1COCCN1C1=NNC(CCC(=O)c2ccn[nH]2)C(c2ccnn2C)=C1
InChIInChI=1S/C19H25N7O2/c1-13-12-28-10-9-26(13)19-11-14(17-6-8-21-25(17)2)15(23-24-19)3-4-18(27)16-5-7-20-22-16/h5-8,11,13,15,23H,3-4,9-10,12H2,1-2H3,(H,20,22)/t13-,15?/m1/s1
InChIKeyLOQOCJWAXAKGEB-AFYYWNPRSA-N
MW383.46 g/mol
LogP1.20
Rot. Bonds5

About 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one

3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one (PubChem CID 167660757) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one
PubChem CID167660757
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one
SMILESC[C@@H]1COCCN1C1=NNC(CCC(=O)c2ccn[nH]2)C(c2ccnn2C)=C1
InChIInChI=1S/C19H25N7O2/c1-13-12-28-10-9-26(13)19-11-14(17-6-8-21-25(17)2)15(23-24-19)3-4-18(27)16-5-7-20-22-16/h5-8,11,13,15,23H,3-4,9-10,12H2,1-2H3,(H,20,22)/t13-,15?/m1/s1
InChIKeyLOQOCJWAXAKGEB-AFYYWNPRSA-N
XLogP1.20
TPSA100.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
N-[1-[4-(2-ethylpyrazol-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 169096546
N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 174210593
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 166926752
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
CID 178015745
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
3-methyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[5,1-f][1,2,4]triazin-2-yl]morpholine
CID 174205521

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one?
The IUPAC name of 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one (CID 167660757) is 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one?
The canonical SMILES for 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one is C[C@@H]1COCCN1C1=NNC(CCC(=O)c2ccn[nH]2)C(c2ccnn2C)=C1.
What is the InChIKey of 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one?
The InChIKey is LOQOCJWAXAKGEB-AFYYWNPRSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-13-12-28-10-9-26(13)19-11-14(17-6-8-21-25(17)2)15(23-24-19)3-4-18(27)16-5-7-20-22-16/h5-8,11,13,15,23H,3-4,9-10,12H2,1-2H3,(H,20,22)/t13-,15?/m1/s1.
What are the key properties of 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one?
3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one has a molecular weight of 383.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 167660757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).