5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one

C24H33N5O — CID 163370158

IUPAC5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(N[C@H]3C[C@@H]4CN[C@@H](CC5CCCCC5)[C@H]4C3)nn2)ccc1=O
InChIInChI=1S/C24H33N5O/c1-29-15-17(7-10-24(29)30)21-8-9-23(28-27-21)26-19-12-18-14-25-22(20(18)13-19)11-16-5-3-2-4-6-16/h7-10,15-16,18-20,22,25H,2-6,11-14H2,1H3,(H,26,28)/t18-,19+,20+,22+/m1/s1
InChIKeyJYCMZAKMKYAYAT-AQCRLBJHSA-N
MW407.56 g/mol
LogP3.59
Rot. Bonds5

About 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one

5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one (PubChem CID 163370158) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
PubChem CID163370158
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(N[C@H]3C[C@@H]4CN[C@@H](CC5CCCCC5)[C@H]4C3)nn2)ccc1=O
InChIInChI=1S/C24H33N5O/c1-29-15-17(7-10-24(29)30)21-8-9-23(28-27-21)26-19-12-18-14-25-22(20(18)13-19)11-16-5-3-2-4-6-16/h7-10,15-16,18-20,22,25H,2-6,11-14H2,1H3,(H,26,28)/t18-,19+,20+,22+/m1/s1
InChIKeyJYCMZAKMKYAYAT-AQCRLBJHSA-N
XLogP3.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one (CID 163370158) is 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(N[C@H]3C[C@@H]4CN[C@@H](CC5CCCCC5)[C@H]4C3)nn2)ccc1=O.
What is the InChIKey of 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The InChIKey is JYCMZAKMKYAYAT-AQCRLBJHSA-N. The full InChI is InChI=1S/C24H33N5O/c1-29-15-17(7-10-24(29)30)21-8-9-23(28-27-21)26-19-12-18-14-25-22(20(18)13-19)11-16-5-3-2-4-6-16/h7-10,15-16,18-20,22,25H,2-6,11-14H2,1H3,(H,26,28)/t18-,19+,20+,22+/m1/s1.
What are the key properties of 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one has a molecular weight of 407.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(3S,3aS,5S,6aS)-3-(cyclohexylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 163370158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).