6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C20H19N5O — CID 77487439

IUPAC6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C#N)cc3)cc12)C1CC1
InChIInChI=1S/C20H19N5O/c1-12(14-6-7-14)24-19-17(20(22)26)10-23-25-11-16(8-18(19)25)15-4-2-13(9-21)3-5-15/h2-5,8,10-12,14,24H,6-7H2,1H3,(H2,22,26)
InChIKeyKGBLMCDPELMPMY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.18
Rot. Bonds5

About 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77487439) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77487439
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C#N)cc3)cc12)C1CC1
InChIInChI=1S/C20H19N5O/c1-12(14-6-7-14)24-19-17(20(22)26)10-23-25-11-16(8-18(19)25)15-4-2-13(9-21)3-5-15/h2-5,8,10-12,14,24H,6-7H2,1H3,(H2,22,26)
InChIKeyKGBLMCDPELMPMY-UHFFFAOYSA-N
XLogP3.18
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Edecesertib
CID 147817927
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
Jak-IN-3
CID 68291755
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91755097
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769234
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769241
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769244
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-cyanophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769309
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-cyano-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769339
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769392
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-chlorophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769396

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77487439) is 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C#N)cc3)cc12)C1CC1.
What is the InChIKey of 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KGBLMCDPELMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12(14-6-7-14)24-19-17(20(22)26)10-23-25-11-16(8-18(19)25)15-4-2-13(9-21)3-5-15/h2-5,8,10-12,14,24H,6-7H2,1H3,(H2,22,26).
What are the key properties of 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).