N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide

C13H12N6O2 — CID 122515246

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cccnn23)c(C(N)=O)n1
InChIInChI=1S/C13H12N6O2/c1-18-7-9(11(17-18)12(14)20)16-13(21)10-5-4-8-3-2-6-15-19(8)10/h2-7H,1H3,(H2,14,20)(H,16,21)
InChIKeyRDEWGTLOKMMGTN-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.42
Rot. Bonds3

About N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide (PubChem CID 122515246) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide
PubChem CID122515246
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cccnn23)c(C(N)=O)n1
InChIInChI=1S/C13H12N6O2/c1-18-7-9(11(17-18)12(14)20)16-13(21)10-5-4-8-3-2-6-15-19(8)10/h2-7H,1H3,(H2,14,20)(H,16,21)
InChIKeyRDEWGTLOKMMGTN-UHFFFAOYSA-N
XLogP0.42
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide (CID 122515246) is N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide is Cn1cc(NC(=O)c2ccc3cccnn23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is RDEWGTLOKMMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-18-7-9(11(17-18)12(14)20)16-13(21)10-5-4-8-3-2-6-15-19(8)10/h2-7H,1H3,(H2,14,20)(H,16,21).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 122515246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).