6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C24H24N6 — CID 68517110

IUPAC6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4C[C@H]5CCCN[C@H]5C4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C24H24N6/c1-2-5-17(6-3-1)23-24(18-10-13-25-14-11-18)30-21(27-23)8-9-22(28-30)29-15-19-7-4-12-26-20(19)16-29/h1-3,5-6,8-11,13-14,19-20,26H,4,7,12,15-16H2/t19-,20+/m1/s1
InChIKeyUHJNTCRQBCOXTN-UXHICEINSA-N
MW396.50 g/mol
LogP3.65
Rot. Bonds3

About 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 68517110) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID68517110
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4C[C@H]5CCCN[C@H]5C4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C24H24N6/c1-2-5-17(6-3-1)23-24(18-10-13-25-14-11-18)30-21(27-23)8-9-22(28-30)29-15-19-7-4-12-26-20(19)16-29/h1-3,5-6,8-11,13-14,19-20,26H,4,7,12,15-16H2/t19-,20+/m1/s1
InChIKeyUHJNTCRQBCOXTN-UXHICEINSA-N
XLogP3.65
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 68517110) is 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is c1ccc(-c2nc3ccc(N4C[C@H]5CCCN[C@H]5C4)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UHJNTCRQBCOXTN-UXHICEINSA-N. The full InChI is InChI=1S/C24H24N6/c1-2-5-17(6-3-1)23-24(18-10-13-25-14-11-18)30-21(27-23)8-9-22(28-30)29-15-19-7-4-12-26-20(19)16-29/h1-3,5-6,8-11,13-14,19-20,26H,4,7,12,15-16H2/t19-,20+/m1/s1.
What are the key properties of 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 396.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).