6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole

C26H30N6 — CID 10002593

IUPAC6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCC5)c4c2)CCC3)n1
InChIInChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3
InChIKeyBUPOPEPJCVXMNX-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.70
Rot. Bonds6

About 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole

6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole (PubChem CID 10002593) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
PubChem CID10002593
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCC5)c4c2)CCC3)n1
InChIInChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3
InChIKeyBUPOPEPJCVXMNX-UHFFFAOYSA-N
XLogP4.70
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole (CID 10002593) is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole is Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCC5)c4c2)CCC3)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The InChIKey is BUPOPEPJCVXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3.
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole?
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole has a molecular weight of 426.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole is sourced from PubChem (CID 10002593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).