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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Related Compounds

3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
Pyrrolidinyl urea derivative 5
CID 71041284
Pyrrolidinyl urea derivative 11
CID 118128775
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-methylphenyl)urea
CID 11588815
ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate
CID 14530459
6-(4-(1H-Pyrazol-1-yl)phenyl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-one
CID 57396034
N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71736610
US10214537, Example 8
CID 132209935
1-[2-(2-Methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 149799889
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea
CID 118381000
methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395279

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).