1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea

C18H13Cl2N9O2 — CID 156772569

IUPAC1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
SMILESCOc1ncc(NC(=O)Nc2cnn3cc(Cl)nc3c2-c2cn(C)nc2Cl)cc1C#N
InChIInChI=1S/C18H13Cl2N9O2/c1-28-7-11(15(20)27-28)14-12(6-23-29-8-13(19)26-16(14)29)25-18(30)24-10-3-9(4-21)17(31-2)22-5-10/h3,5-8H,1-2H3,(H2,24,25,30)
InChIKeyUHCXQIJZOOQZTE-UHFFFAOYSA-N
MW458.27 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea

1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea (PubChem CID 156772569) has the molecular formula C18H13Cl2N9O2 and a molecular weight of 458.27 g/mol. Its IUPAC name is 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
PubChem CID156772569
Molecular FormulaC18H13Cl2N9O2
Molecular Weight458.27 g/mol
Exact Mass457.06
IUPAC Name1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
SMILESCOc1ncc(NC(=O)Nc2cnn3cc(Cl)nc3c2-c2cn(C)nc2Cl)cc1C#N
InChIInChI=1S/C18H13Cl2N9O2/c1-28-7-11(15(20)27-28)14-12(6-23-29-8-13(19)26-16(14)29)25-18(30)24-10-3-9(4-21)17(31-2)22-5-10/h3,5-8H,1-2H3,(H2,24,25,30)
InChIKeyUHCXQIJZOOQZTE-UHFFFAOYSA-N
XLogP3.36
TPSA135.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea (CID 156772569) is 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea is COc1ncc(NC(=O)Nc2cnn3cc(Cl)nc3c2-c2cn(C)nc2Cl)cc1C#N.
What is the InChIKey of 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea?
The InChIKey is UHCXQIJZOOQZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N9O2/c1-28-7-11(15(20)27-28)14-12(6-23-29-8-13(19)26-16(14)29)25-18(30)24-10-3-9(4-21)17(31-2)22-5-10/h3,5-8H,1-2H3,(H2,24,25,30).
What are the key properties of 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea?
1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea has a molecular weight of 458.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-8-(3-chloro-1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 156772569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).