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

C22H23N5 — CID 90695389

IUPAC6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole
SMILESCCCn1cnc2ccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)cc21
InChIInChI=1S/C22H23N5/c1-3-11-26-14-23-17-10-9-16(13-20(17)26)21-19-8-5-12-27(19)25-22(21)18-7-4-6-15(2)24-18/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3
InChIKeyPWLRKSUTVSSHIC-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.63
Rot. Bonds4

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

6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole (PubChem CID 90695389) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole
PubChem CID90695389
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole
SMILESCCCn1cnc2ccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)cc21
InChIInChI=1S/C22H23N5/c1-3-11-26-14-23-17-10-9-16(13-20(17)26)21-19-8-5-12-27(19)25-22(21)18-7-4-6-15(2)24-18/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3
InChIKeyPWLRKSUTVSSHIC-UHFFFAOYSA-N
XLogP4.63
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-propylbenzimidazole?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole (CID 90695389) is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole is CCCn1cnc2ccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)cc21.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole?
The InChIKey is PWLRKSUTVSSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-3-11-26-14-23-17-10-9-16(13-20(17)26)21-19-8-5-12-27(19)25-22(21)18-7-4-6-15(2)24-18/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3.
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole?
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole has a molecular weight of 357.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-propylbenzimidazole is sourced from PubChem (CID 90695389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).