(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C20H28N6 — CID 110139168

IUPAC(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCNc1ncccc1CN1C[C@H]2CC[C@@H](N(C)c3ccc(C)nn3)[C@H]2C1
InChIInChI=1S/C20H28N6/c1-14-6-9-19(24-23-14)25(3)18-8-7-15-11-26(13-17(15)18)12-16-5-4-10-22-20(16)21-2/h4-6,9-10,15,17-18H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,17+,18-/m1/s1
InChIKeyFJRBSXWDIWQUIV-BPQIPLTHSA-N
MW352.49 g/mol
LogP2.57
Rot. Bonds5

About (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 110139168) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID110139168
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCNc1ncccc1CN1C[C@H]2CC[C@@H](N(C)c3ccc(C)nn3)[C@H]2C1
InChIInChI=1S/C20H28N6/c1-14-6-9-19(24-23-14)25(3)18-8-7-15-11-26(13-17(15)18)12-16-5-4-10-22-20(16)21-2/h4-6,9-10,15,17-18H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,17+,18-/m1/s1
InChIKeyFJRBSXWDIWQUIV-BPQIPLTHSA-N
XLogP2.57
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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Pyrazolo[1,5-a]-1,3,5-triazine, 13-10
CID 42618216
Arylpyrazole, 23
CID 44143423
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
(3aS,6aR)-2-(oxan-4-ylmethyl)-N-(6-pyridin-3-ylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578974
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(1,4-dimethyl-pentyl)-amine
CID 11280879
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(1-ethyl-propyl)-amine
CID 11326060
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(1-propyl-butyl)-amine
CID 11429341
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(1,2-dimethyl-propyl)-amine
CID 11485413
(3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-2-ylmethyl)octahydropyrrolo[3,4-c]pyrrole
CID 46225138
(3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-3-ylmethyl)octahydropyrrolo[3,4-c]pyrrole
CID 46225140

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 110139168) is (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is CNc1ncccc1CN1C[C@H]2CC[C@@H](N(C)c3ccc(C)nn3)[C@H]2C1.
What is the InChIKey of (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is FJRBSXWDIWQUIV-BPQIPLTHSA-N. The full InChI is InChI=1S/C20H28N6/c1-14-6-9-19(24-23-14)25(3)18-8-7-15-11-26(13-17(15)18)12-16-5-4-10-22-20(16)21-2/h4-6,9-10,15,17-18H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,17+,18-/m1/s1.
What are the key properties of (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 352.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 110139168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).