4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C25H30N6O2 — CID 77487511

IUPAC4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3cccc(CNC(=O)N4CCCC4)c3)cc12)C1CC1
InChIInChI=1S/C25H30N6O2/c1-16(18-7-8-18)29-23-21(24(26)32)14-28-31-15-20(12-22(23)31)19-6-4-5-17(11-19)13-27-25(33)30-9-2-3-10-30/h4-6,11-12,14-16,18,29H,2-3,7-10,13H2,1H3,(H2,26,32)(H,27,33)
InChIKeyNSDRAFFPCWYTTC-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.62
Rot. Bonds7

About 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77487511) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77487511
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3cccc(CNC(=O)N4CCCC4)c3)cc12)C1CC1
InChIInChI=1S/C25H30N6O2/c1-16(18-7-8-18)29-23-21(24(26)32)14-28-31-15-20(12-22(23)31)19-6-4-5-17(11-19)13-27-25(33)30-9-2-3-10-30/h4-6,11-12,14-16,18,29H,2-3,7-10,13H2,1H3,(H2,26,32)(H,27,33)
InChIKeyNSDRAFFPCWYTTC-UHFFFAOYSA-N
XLogP3.62
TPSA104.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[3-[3-carbamoyl-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazin-6-yl]phenyl]methylamino]-2-oxoethyl] acetate
CID 77487448
6-[3-(benzamidomethyl)phenyl]-4-[(3-fluoro-3-methylbutan-2-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487593
4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487566
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 86791246
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
4-[[(3R,4R)-3-ethyl-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937367
N-[(3-carbamimidoylphenyl)methyl]azepane-1-carboxamide
CID 79152751
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
6-(3,4-difluorophenyl)-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468208
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111509057

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77487511) is 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(Nc1c(C(N)=O)cnn2cc(-c3cccc(CNC(=O)N4CCCC4)c3)cc12)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NSDRAFFPCWYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(18-7-8-18)29-23-21(24(26)32)14-28-31-15-20(12-22(23)31)19-6-4-5-17(11-19)13-27-25(33)30-9-2-3-10-30/h4-6,11-12,14-16,18,29H,2-3,7-10,13H2,1H3,(H2,26,32)(H,27,33).
What are the key properties of 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77487511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).