(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C26H34N6O2 — CID 167431504

IUPAC(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCOc1cc(-c2ccc3nn(C)cc3c2)nnc1NC1C[C@@H]2CN(CC3CCOCC3)C[C@H]2C1
InChIInChI=1S/C26H34N6O2/c1-31-14-21-9-18(3-4-23(21)30-31)24-12-25(33-2)26(29-28-24)27-22-10-19-15-32(16-20(19)11-22)13-17-5-7-34-8-6-17/h3-4,9,12,14,17,19-20,22H,5-8,10-11,13,15-16H2,1-2H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyGUQSOFWGDQGMNI-WOJBJXKFSA-N
MW462.60 g/mol
LogP3.59
Rot. Bonds6

About (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 167431504) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID167431504
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCOc1cc(-c2ccc3nn(C)cc3c2)nnc1NC1C[C@@H]2CN(CC3CCOCC3)C[C@H]2C1
InChIInChI=1S/C26H34N6O2/c1-31-14-21-9-18(3-4-23(21)30-31)24-12-25(33-2)26(29-28-24)27-22-10-19-15-32(16-20(19)11-22)13-17-5-7-34-8-6-17/h3-4,9,12,14,17,19-20,22H,5-8,10-11,13,15-16H2,1-2H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyGUQSOFWGDQGMNI-WOJBJXKFSA-N
XLogP3.59
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine with MolForge

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Related Compounds

N-[6-(3-methylbenzimidazol-5-yl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795137
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 162451720
(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
(3aR,6aS)-N-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578406
3-[[(3S,3aS,5S,6aS)-3-[[(3S)-oxolan-3-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]-6-(2-methylindazol-5-yl)pyridazine-4-carbonitrile
CID 168795143
N-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578682
(3aS,6aS)-N-[6-(2,4-dimethylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899147
[4-[6-[[(3aR,6aS)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-5-(trifluoromethyl)pyridazin-3-yl]-2,6-difluorophenyl]methanol
CID 168795126
N-[6-(5-fluoro-2-methylphenyl)-4-methylsulfonylpyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 167431515
(3aR,6aS)-2-[dideuterio(oxan-4-yl)methyl]-N-(4-methyl-6-phenylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175884206
N-[6-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795278
(3aR,6aS)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578957

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 167431504) is (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is COc1cc(-c2ccc3nn(C)cc3c2)nnc1NC1C[C@@H]2CN(CC3CCOCC3)C[C@H]2C1.
What is the InChIKey of (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is GUQSOFWGDQGMNI-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-31-14-21-9-18(3-4-23(21)30-31)24-12-25(33-2)26(29-28-24)27-22-10-19-15-32(16-20(19)11-22)13-17-5-7-34-8-6-17/h3-4,9,12,14,17,19-20,22H,5-8,10-11,13,15-16H2,1-2H3,(H,27,29)/t19-,20-/m1/s1.
What are the key properties of (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 462.60 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 167431504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).