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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Related Compounds

5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
CID 163385335
4-chloro-5-[(2,2-difluorocyclopropyl)methyl]-7-iodo-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385416
4-chloro-5-[[(1S)-2,2-difluorocyclopropyl]methyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile
CID 164783456
5-(cyclopropylmethyl)-4-[6-(hydroxymethyl)-3-pyridinyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385301
5-(cyclopropylmethyl)-7-iodo-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385273
5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385256
5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385201
5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-7-iodo-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385382
5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385309
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670795
2,5-dimethylindazole
CID 58763639

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).