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

C27H32N6 — CID 10321041

IUPAC6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCCC5)c4c2)CCC3)n1
InChIInChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3
InChIKeyYYAOGZMGXIQAJJ-UHFFFAOYSA-N
MW440.60 g/mol
LogP5.09
Rot. Bonds6

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

6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole (PubChem CID 10321041) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole
PubChem CID10321041
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCCC5)c4c2)CCC3)n1
InChIInChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3
InChIKeyYYAOGZMGXIQAJJ-UHFFFAOYSA-N
XLogP5.09
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol
CID 10361101
Ido/tdo-IN-1
CID 122650373
2-[2-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyridin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153166
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
7-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-B]pyridazine
CID 74049854
Tosposertib
CID 136232645
5-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzo[d]imidazole
CID 9972086
6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-yl-propyl)-1H-benzoimidazole
CID 10002593
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
8,9-dimethyl-5-[4-(2-methylimidazo[4,5-c]pyrid-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]-benzodiazepine
CID 10341961
1-methyl-6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazole
CID 10359218

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-(3-piperidin-1-ylpropyl)benzimidazole?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole (CID 10321041) is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole is Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCCC5)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]-1-(3-piperidin-1-ylpropyl)benzimidazole?
The InChIKey is YYAOGZMGXIQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3.
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole?
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-piperidin-1-ylpropyl)benzimidazole has a molecular weight of 440.60 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(3-piperidin-1-ylpropyl)benzimidazole is sourced from PubChem (CID 10321041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).