1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one

C24H31ClN4O3 — CID 160656186

IUPAC1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one
SMILESCc1cc(CCC(=O)Cc2cnc(OCC3CC3)c(Cl)c2)nnc1N1CC(C)OC(C)C1
InChIInChI=1S/C24H31ClN4O3/c1-15-8-20(27-28-23(15)29-12-16(2)32-17(3)13-29)6-7-21(30)9-19-10-22(25)24(26-11-19)31-14-18-4-5-18/h8,10-11,16-18H,4-7,9,12-14H2,1-3H3
InChIKeyRLBQXTFGQYPDQT-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.98
Rot. Bonds9

About 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one

1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one (PubChem CID 160656186) has the molecular formula C24H31ClN4O3 and a molecular weight of 458.99 g/mol. Its IUPAC name is 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one.

Molecular Properties

Compound Name1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one
PubChem CID160656186
Molecular FormulaC24H31ClN4O3
Molecular Weight458.99 g/mol
Exact Mass458.21
IUPAC Name1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one
SMILESCc1cc(CCC(=O)Cc2cnc(OCC3CC3)c(Cl)c2)nnc1N1CC(C)OC(C)C1
InChIInChI=1S/C24H31ClN4O3/c1-15-8-20(27-28-23(15)29-12-16(2)32-17(3)13-29)6-7-21(30)9-19-10-22(25)24(26-11-19)31-14-18-4-5-18/h8,10-11,16-18H,4-7,9,12-14H2,1-3H3
InChIKeyRLBQXTFGQYPDQT-UHFFFAOYSA-N
XLogP3.98
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one with MolForge

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Related Compounds

1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea
CID 137377913
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine
CID 104959500
1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea
CID 146553726
5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
CID 102935345
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
[4-[4-(aminomethyl)pyridazin-3-yl]-6-methylmorpholin-2-yl]methanol
CID 102932038
[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanol
CID 81239032
N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 66321851
(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one?
The IUPAC name of 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one (CID 160656186) is 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one.
What is the SMILES notation for 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one?
The canonical SMILES for 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one is Cc1cc(CCC(=O)Cc2cnc(OCC3CC3)c(Cl)c2)nnc1N1CC(C)OC(C)C1.
What is the InChIKey of 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one?
The InChIKey is RLBQXTFGQYPDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3/c1-15-8-20(27-28-23(15)29-12-16(2)32-17(3)13-29)6-7-21(30)9-19-10-22(25)24(26-11-19)31-14-18-4-5-18/h8,10-11,16-18H,4-7,9,12-14H2,1-3H3.
What are the key properties of 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one?
1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one has a molecular weight of 458.99 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one is sourced from PubChem (CID 160656186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).