N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C15H12N6O — CID 138491007

IUPACN-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3cnn4ncccc34)ccnc2[nH]1
InChIInChI=1S/C15H12N6O/c1-16-15(22)12-7-10-9(4-6-17-14(10)20-12)11-8-19-21-13(11)3-2-5-18-21/h2-8H,1H3,(H,16,22)(H,17,20)
InChIKeyZGNYHIFMOOIDJG-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 138491007) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID138491007
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC NameN-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3cnn4ncccc34)ccnc2[nH]1
InChIInChI=1S/C15H12N6O/c1-16-15(22)12-7-10-9(4-6-17-14(10)20-12)11-8-19-21-13(11)3-2-5-18-21/h2-8H,1H3,(H,16,22)(H,17,20)
InChIKeyZGNYHIFMOOIDJG-UHFFFAOYSA-N
XLogP1.63
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 138491007) is N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.
What is the InChIKey of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZGNYHIFMOOIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-16-15(22)12-7-10-9(4-6-17-14(10)20-12)11-8-19-21-13(11)3-2-5-18-21/h2-8H,1H3,(H,16,22)(H,17,20).
What are the key properties of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 138491007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).