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

C19H17N5 — CID 11723225

IUPAC6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)n1
InChIInChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChIKeyYIACYWZAPISCDQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds2

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

6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole (PubChem CID 11723225) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole
PubChem CID11723225
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)n1
InChIInChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChIKeyYIACYWZAPISCDQ-UHFFFAOYSA-N
XLogP3.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-1H-benzimidazole?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole (CID 11723225) is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole is Cc1cccc(-c2nn3c(c2-c2ccc4nc[nH]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]-1H-benzimidazole?
The InChIKey is YIACYWZAPISCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21).
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole?
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 315.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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]-1H-benzimidazole is sourced from PubChem (CID 11723225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).