6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide

C18H18N6O2 — CID 171525296

IUPAC6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)c(-c3c(C)c(O)cc4[nH]ncc34)n2nc1C
InChIInChI=1S/C18H18N6O2/c1-7-4-12-15(18(20)26)16(19)17(24(12)23-9(7)3)14-8(2)13(25)5-11-10(14)6-21-22-11/h4-6,25H,19H2,1-3H3,(H2,20,26)(H,21,22)
InChIKeyDKURTJAVVCDEFN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.19
Rot. Bonds2

About 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide

6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide (PubChem CID 171525296) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide
PubChem CID171525296
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)c(-c3c(C)c(O)cc4[nH]ncc34)n2nc1C
InChIInChI=1S/C18H18N6O2/c1-7-4-12-15(18(20)26)16(19)17(24(12)23-9(7)3)14-8(2)13(25)5-11-10(14)6-21-22-11/h4-6,25H,19H2,1-3H3,(H2,20,26)(H,21,22)
InChIKeyDKURTJAVVCDEFN-UHFFFAOYSA-N
XLogP2.19
TPSA135.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The IUPAC name of 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide (CID 171525296) is 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide.
What is the SMILES notation for 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The canonical SMILES for 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide is Cc1cc2c(C(N)=O)c(N)c(-c3c(C)c(O)cc4[nH]ncc34)n2nc1C.
What is the InChIKey of 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The InChIKey is DKURTJAVVCDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-7-4-12-15(18(20)26)16(19)17(24(12)23-9(7)3)14-8(2)13(25)5-11-10(14)6-21-22-11/h4-6,25H,19H2,1-3H3,(H2,20,26)(H,21,22).
What are the key properties of 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide?
6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide is sourced from PubChem (CID 171525296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).