4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one

C19H18ClN5O — CID 163385298

IUPAC4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1cc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(Cl)c2n1CC1CC1
InChIInChI=1S/C19H18ClN5O/c1-11-7-16-18(24(11)9-12-3-4-12)17(20)19(26)25(22-16)14-5-6-15-13(8-14)10-23(2)21-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeySZTKCLMTMCJDJR-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one

4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one (PubChem CID 163385298) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
PubChem CID163385298
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1cc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(Cl)c2n1CC1CC1
InChIInChI=1S/C19H18ClN5O/c1-11-7-16-18(24(11)9-12-3-4-12)17(20)19(26)25(22-16)14-5-6-15-13(8-14)10-23(2)21-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeySZTKCLMTMCJDJR-UHFFFAOYSA-N
XLogP3.45
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one (CID 163385298) is 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one is Cc1cc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(Cl)c2n1CC1CC1.
What is the InChIKey of 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The InChIKey is SZTKCLMTMCJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-11-7-16-18(24(11)9-12-3-4-12)17(20)19(26)25(22-16)14-5-6-15-13(8-14)10-23(2)21-15/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one has a molecular weight of 367.84 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one is sourced from PubChem (CID 163385298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).