1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea

C18H16ClF2N5O3 — CID 156772717

IUPAC1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cccnc12
InChIInChI=1S/C18H16ClF2N5O3/c1-9(28-2)14-13(8-23-12-4-3-5-22-15(12)14)26-18(27)25-10-6-11(19)16(24-7-10)29-17(20)21/h3-9,17H,1-2H3,(H2,25,26,27)
InChIKeyOOFGVQWCISDLCU-UHFFFAOYSA-N
MW423.81 g/mol
LogP4.63
Rot. Bonds6

About 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea

1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea (PubChem CID 156772717) has the molecular formula C18H16ClF2N5O3 and a molecular weight of 423.81 g/mol. Its IUPAC name is 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea.

Molecular Properties

Compound Name1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
PubChem CID156772717
Molecular FormulaC18H16ClF2N5O3
Molecular Weight423.81 g/mol
Exact Mass423.09
IUPAC Name1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cccnc12
InChIInChI=1S/C18H16ClF2N5O3/c1-9(28-2)14-13(8-23-12-4-3-5-22-15(12)14)26-18(27)25-10-6-11(19)16(24-7-10)29-17(20)21/h3-9,17H,1-2H3,(H2,25,26,27)
InChIKeyOOFGVQWCISDLCU-UHFFFAOYSA-N
XLogP4.63
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.81
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
CID 166769830
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 142491629
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-3-pyridinyl]urea
CID 155708210
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-methoxy-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea
CID 155202059
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
CID 166769801
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(1-ethoxyethyl)quinolin-3-yl]urea
CID 142425471
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 156772596
1-[5-bromo-4-[(1S)-1-methoxyethyl]-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155201990
1-[4-(1-aminoethyl)quinolin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 142425486
1-[4-(1-methoxyethyl)-5-methyl-6-oxo-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772591

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea?
The IUPAC name of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea (CID 156772717) is 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea.
What is the SMILES notation for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea?
The canonical SMILES for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea is COC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cccnc12.
What is the InChIKey of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea?
The InChIKey is OOFGVQWCISDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O3/c1-9(28-2)14-13(8-23-12-4-3-5-22-15(12)14)26-18(27)25-10-6-11(19)16(24-7-10)29-17(20)21/h3-9,17H,1-2H3,(H2,25,26,27).
What are the key properties of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea?
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea has a molecular weight of 423.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea is sourced from PubChem (CID 156772717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).