5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one

C23H26N6O — CID 175988017

IUPAC5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(NC3C[C@@H]4CN(Cc5ccccn5)C[C@@H]4C3)nn2)ccc1=O
InChIInChI=1S/C23H26N6O/c1-28-12-16(5-8-23(28)30)21-6-7-22(27-26-21)25-20-10-17-13-29(14-18(17)11-20)15-19-4-2-3-9-24-19/h2-9,12,17-18,20H,10-11,13-15H2,1H3,(H,25,27)/t17-,18+,20?
InChIKeyWMGCSVQRYILDSS-UFRUDQCGSA-N
MW402.50 g/mol
LogP2.56
Rot. Bonds5

About 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one

5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one (PubChem CID 175988017) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
PubChem CID175988017
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(NC3C[C@@H]4CN(Cc5ccccn5)C[C@@H]4C3)nn2)ccc1=O
InChIInChI=1S/C23H26N6O/c1-28-12-16(5-8-23(28)30)21-6-7-22(27-26-21)25-20-10-17-13-29(14-18(17)11-20)15-19-4-2-3-9-24-19/h2-9,12,17-18,20H,10-11,13-15H2,1H3,(H,25,27)/t17-,18+,20?
InChIKeyWMGCSVQRYILDSS-UFRUDQCGSA-N
XLogP2.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

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
(3aR,6aS)-N-[6-(3-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899383
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
N-[6-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795223
(3aR,6aS)-N-[6-(benzenesulfonyl)pyridazin-3-yl]-2-[(3-methyl-2-pyridinyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 166793825
(3aR,6aS)-2-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452990
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
(3aR,6aS)-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563520
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(3aR,5R,6R,7aS)-6-(4-methylpiperazin-1-yl)-2-(pyridin-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172664274
(3aR,6aS)-N-[6-(benzenesulfonyl)pyridazin-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 166793899
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one (CID 175988017) is 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(NC3C[C@@H]4CN(Cc5ccccn5)C[C@@H]4C3)nn2)ccc1=O.
What is the InChIKey of 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
The InChIKey is WMGCSVQRYILDSS-UFRUDQCGSA-N. The full InChI is InChI=1S/C23H26N6O/c1-28-12-16(5-8-23(28)30)21-6-7-22(27-26-21)25-20-10-17-13-29(14-18(17)11-20)15-19-4-2-3-9-24-19/h2-9,12,17-18,20H,10-11,13-15H2,1H3,(H,25,27)/t17-,18+,20?.
What are the key properties of 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one?
5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(3aR,6aS)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 175988017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).