1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea

C20H25ClF2N6O3 — CID 137377913

IUPAC1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cnc(OCC(F)F)c(Cl)c2)nnc1N1CC(C)OC(C)C1
InChIInChI=1S/C20H25ClF2N6O3/c1-11-4-15(27-28-18(11)29-8-12(2)32-13(3)9-29)7-25-20(30)26-14-5-16(21)19(24-6-14)31-10-17(22)23/h4-6,12-13,17H,7-10H2,1-3H3,(H2,25,26,30)
InChIKeyUTJIJLTWMCPGTC-UHFFFAOYSA-N
MW470.91 g/mol
LogP3.41
Rot. Bonds7

About 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea

1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea (PubChem CID 137377913) has the molecular formula C20H25ClF2N6O3 and a molecular weight of 470.91 g/mol. Its IUPAC name is 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea
PubChem CID137377913
Molecular FormulaC20H25ClF2N6O3
Molecular Weight470.91 g/mol
Exact Mass470.16
IUPAC Name1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cnc(OCC(F)F)c(Cl)c2)nnc1N1CC(C)OC(C)C1
InChIInChI=1S/C20H25ClF2N6O3/c1-11-4-15(27-28-18(11)29-8-12(2)32-13(3)9-29)7-25-20(30)26-14-5-16(21)19(24-6-14)31-10-17(22)23/h4-6,12-13,17H,7-10H2,1-3H3,(H2,25,26,30)
InChIKeyUTJIJLTWMCPGTC-UHFFFAOYSA-N
XLogP3.41
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea
CID 146553726
1-[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]-4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]butan-2-one
CID 160656186
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 49282481
1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
1-[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-3-pyridinyl]-3-[[5-methyl-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377746
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 55794605
1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 51122260
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea?
The IUPAC name of 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea (CID 137377913) is 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea.
What is the SMILES notation for 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea?
The canonical SMILES for 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea is Cc1cc(CNC(=O)Nc2cnc(OCC(F)F)c(Cl)c2)nnc1N1CC(C)OC(C)C1.
What is the InChIKey of 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea?
The InChIKey is UTJIJLTWMCPGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF2N6O3/c1-11-4-15(27-28-18(11)29-8-12(2)32-13(3)9-29)7-25-20(30)26-14-5-16(21)19(24-6-14)31-10-17(22)23/h4-6,12-13,17H,7-10H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea?
1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea has a molecular weight of 470.91 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]urea is sourced from PubChem (CID 137377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).