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

C19H17N5 — CID 10064294

IUPAC1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole
SMILESCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21
InChIInChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyIOMYOMXAQCULTN-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.44
Rot. Bonds2

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

1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole (PubChem CID 10064294) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole
PubChem CID10064294
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole
SMILESCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21
InChIInChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyIOMYOMXAQCULTN-UHFFFAOYSA-N
XLogP3.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.44
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-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole?
The IUPAC name of 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole (CID 10064294) is 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole.
What is the SMILES notation for 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole?
The canonical SMILES for 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole is Cn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21.
What is the InChIKey of 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole?
The InChIKey is IOMYOMXAQCULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3.
What are the key properties of 1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole?
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole has a molecular weight of 315.38 g/mol, XLogP of 3.44, 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-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazole is sourced from PubChem (CID 10064294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).