4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine

C26H30N6O — CID 10456042

IUPAC4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCOCC5)c4c2)CCC3)n1
InChIInChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3
InChIKeyZYJUTFWTMBHZBZ-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.94
Rot. Bonds6

About 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine

4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine (PubChem CID 10456042) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine
PubChem CID10456042
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCOCC5)c4c2)CCC3)n1
InChIInChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3
InChIKeyZYJUTFWTMBHZBZ-UHFFFAOYSA-N
XLogP3.94
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine (CID 10456042) is 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine is Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCOCC5)c4c2)CCC3)n1.
What is the InChIKey of 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine?
The InChIKey is ZYJUTFWTMBHZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3.
What are the key properties of 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine?
4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine has a molecular weight of 442.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10456042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).