1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea

C20H21ClN8O — CID 156772689

IUPAC1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
SMILESCc1cn2ncc(NC(=O)Nc3cnc(-c4ccn(C)n4)c(Cl)c3)c(C(C)C)c2n1
InChIInChI=1S/C20H21ClN8O/c1-11(2)17-16(9-23-29-10-12(3)24-19(17)29)26-20(30)25-13-7-14(21)18(22-8-13)15-5-6-28(4)27-15/h5-11H,1-4H3,(H2,25,26,30)
InChIKeyMZVNUUSJDPCSGW-UHFFFAOYSA-N
MW424.90 g/mol
LogP4.25
Rot. Bonds4

About 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea

1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea (PubChem CID 156772689) has the molecular formula C20H21ClN8O and a molecular weight of 424.90 g/mol. Its IUPAC name is 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
PubChem CID156772689
Molecular FormulaC20H21ClN8O
Molecular Weight424.90 g/mol
Exact Mass424.15
IUPAC Name1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
SMILESCc1cn2ncc(NC(=O)Nc3cnc(-c4ccn(C)n4)c(Cl)c3)c(C(C)C)c2n1
InChIInChI=1S/C20H21ClN8O/c1-11(2)17-16(9-23-29-10-12(3)24-19(17)29)26-20(30)25-13-7-14(21)18(22-8-13)15-5-6-28(4)27-15/h5-11H,1-4H3,(H2,25,26,30)
InChIKeyMZVNUUSJDPCSGW-UHFFFAOYSA-N
XLogP4.25
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456557
1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
CID 166769846
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
1-[8-[(1R)-1-methoxyethyl]-2-methylimidazo[1,2-b]pyridazin-7-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772553
1-(5-chloro-4-cyclopropylpyrrolo[1,2-b]pyridazin-3-yl)-3-[5-chloro-6-(1-methyltetrazol-5-yl)-3-pyridinyl]urea
CID 156887021
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-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610112
1-(2-chloro-8-ethoxyimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456680
1-(3-amino-2-aminosulfanylphenyl)-N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169836
1-(8-butan-2-yl-2-chloroimidazo[1,2-b]pyridazin-7-yl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 156772613
1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea
CID 166636734

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea?
The IUPAC name of 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea (CID 156772689) is 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea.
What is the SMILES notation for 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea?
The canonical SMILES for 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea is Cc1cn2ncc(NC(=O)Nc3cnc(-c4ccn(C)n4)c(Cl)c3)c(C(C)C)c2n1.
What is the InChIKey of 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea?
The InChIKey is MZVNUUSJDPCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8O/c1-11(2)17-16(9-23-29-10-12(3)24-19(17)29)26-20(30)25-13-7-14(21)18(22-8-13)15-5-6-28(4)27-15/h5-11H,1-4H3,(H2,25,26,30).
What are the key properties of 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea?
1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea has a molecular weight of 424.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea is sourced from PubChem (CID 156772689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).