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

C20H19N5 — CID 10359218

IUPAC1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)CCC3)n1
InChIInChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3
InChIKeySXNCFFITOIFUMU-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.75
Rot. Bonds2

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

1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole (PubChem CID 10359218) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole
PubChem CID10359218
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)CCC3)n1
InChIInChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3
InChIKeySXNCFFITOIFUMU-UHFFFAOYSA-N
XLogP3.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole?
The IUPAC name of 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole (CID 10359218) is 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole is Cc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)CCC3)n1.
What is the InChIKey of 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole?
The InChIKey is SXNCFFITOIFUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3.
What are the key properties of 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole?
1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole has a molecular weight of 329.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole is sourced from PubChem (CID 10359218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).