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

C19H15ClF2N6O3 — CID 166769830

IUPAC1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccc(Cl)nc12
InChIInChI=1S/C19H15ClF2N6O3/c1-9(30-2)15-13(8-24-12-3-4-14(20)28-16(12)15)27-19(29)26-11-5-10(6-23)17(25-7-11)31-18(21)22/h3-5,7-9,18H,1-2H3,(H2,26,27,29)
InChIKeyGAKIZHAMBVSPEW-UHFFFAOYSA-N
MW448.82 g/mol
LogP4.50
Rot. Bonds6

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

1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea (PubChem CID 166769830) has the molecular formula C19H15ClF2N6O3 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
PubChem CID166769830
Molecular FormulaC19H15ClF2N6O3
Molecular Weight448.82 g/mol
Exact Mass448.09
IUPAC Name1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccc(Cl)nc12
InChIInChI=1S/C19H15ClF2N6O3/c1-9(30-2)15-13(8-24-12-3-4-14(20)28-16(12)15)27-19(29)26-11-5-10(6-23)17(25-7-11)31-18(21)22/h3-5,7-9,18H,1-2H3,(H2,26,27,29)
InChIKeyGAKIZHAMBVSPEW-UHFFFAOYSA-N
XLogP4.50
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
CID 156772717
1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 142491629
1-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 155202073
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-[6-chloro-4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772644
1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772694
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-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 129117204
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156772632
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea
CID 156772625

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea (CID 166769830) is 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea is COC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccc(Cl)nc12.
What is the InChIKey of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea?
The InChIKey is GAKIZHAMBVSPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N6O3/c1-9(30-2)15-13(8-24-12-3-4-14(20)28-16(12)15)27-19(29)26-11-5-10(6-23)17(25-7-11)31-18(21)22/h3-5,7-9,18H,1-2H3,(H2,26,27,29).
What are the key properties of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea?
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea has a molecular weight of 448.82 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 166769830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).