N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide

C16H20N6O2 — CID 89449609

IUPACN-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide
SMILESCCOC(C)n1cc(-c2c(NC=O)cnn3c(NC)ccc23)cn1
InChIInChI=1S/C16H20N6O2/c1-4-24-11(2)21-9-12(7-19-21)16-13(18-10-23)8-20-22-14(16)5-6-15(22)17-3/h5-11,17H,4H2,1-3H3,(H,18,23)
InChIKeyOCKIQYFUKBBEII-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide

N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide (PubChem CID 89449609) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide.

Molecular Properties

Compound NameN-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide
PubChem CID89449609
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide
SMILESCCOC(C)n1cc(-c2c(NC=O)cnn3c(NC)ccc23)cn1
InChIInChI=1S/C16H20N6O2/c1-4-24-11(2)21-9-12(7-19-21)16-13(18-10-23)8-20-22-14(16)5-6-15(22)17-3/h5-11,17H,4H2,1-3H3,(H,18,23)
InChIKeyOCKIQYFUKBBEII-UHFFFAOYSA-N
XLogP2.36
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The IUPAC name of N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide (CID 89449609) is N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide.
What is the SMILES notation for N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The canonical SMILES for N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide is CCOC(C)n1cc(-c2c(NC=O)cnn3c(NC)ccc23)cn1.
What is the InChIKey of N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The InChIKey is OCKIQYFUKBBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-4-24-11(2)21-9-12(7-19-21)16-13(18-10-23)8-20-22-14(16)5-6-15(22)17-3/h5-11,17H,4H2,1-3H3,(H,18,23).
What are the key properties of N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide?
N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide has a molecular weight of 328.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide is sourced from PubChem (CID 89449609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).