3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine

C24H32N12 — CID 141357548

IUPAC3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine
SMILESC1=CNN(C2=C(N3CCCN3)C(c3ncc[nH]3)=C(N3C=NCC3)C(N3CCNC3)N2c2ccc[nH]2)C1
InChIInChI=1S/C24H32N12/c1-4-18(27-5-1)36-23(33-15-11-26-17-33)20(32-14-10-25-16-32)19(22-28-8-9-29-22)21(34-12-2-6-30-34)24(36)35-13-3-7-31-35/h1,3-5,7-9,16,23,26-27,30-31H,2,6,10-15,17H2,(H,28,29)
InChIKeyKPMVVTZLTPFDMO-UHFFFAOYSA-N
MW488.60 g/mol
LogP0.22
Rot. Bonds6

About 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine

3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine (PubChem CID 141357548) has the molecular formula C24H32N12 and a molecular weight of 488.60 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine
PubChem CID141357548
Molecular FormulaC24H32N12
Molecular Weight488.60 g/mol
Exact Mass488.29
IUPAC Name3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine
SMILESC1=CNN(C2=C(N3CCCN3)C(c3ncc[nH]3)=C(N3C=NCC3)C(N3CCNC3)N2c2ccc[nH]2)C1
InChIInChI=1S/C24H32N12/c1-4-18(27-5-1)36-23(33-15-11-26-17-33)20(32-14-10-25-16-32)19(22-28-8-9-29-22)21(34-12-2-6-30-34)24(36)35-13-3-7-31-35/h1,3-5,7-9,16,23,26-27,30-31H,2,6,10-15,17H2,(H,28,29)
InChIKeyKPMVVTZLTPFDMO-UHFFFAOYSA-N
XLogP0.22
TPSA109.12 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 50.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine with MolForge

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Related Compounds

1H-imidazole;methane;hexakis(2-methylpropane);1H-pyrrole;2H-pyrrole;bis(3H-pyrrole);2H-triazole
CID 158180543
4,5-dihydro-1H-imidazole;4,5-dihydro-1H-pyrazole;2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;imidazolidine;1H-pyrazole;1H-pyrrole
CID 159616117
3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole
CID 160535017
6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine
CID 18408613

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine (CID 141357548) is 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine is C1=CNN(C2=C(N3CCCN3)C(c3ncc[nH]3)=C(N3C=NCC3)C(N3CCNC3)N2c2ccc[nH]2)C1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine?
The InChIKey is KPMVVTZLTPFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N12/c1-4-18(27-5-1)36-23(33-15-11-26-17-33)20(32-14-10-25-16-32)19(22-28-8-9-29-22)21(34-12-2-6-30-34)24(36)35-13-3-7-31-35/h1,3-5,7-9,16,23,26-27,30-31H,2,6,10-15,17H2,(H,28,29).
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine?
3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine has a molecular weight of 488.60 g/mol, XLogP of 0.22, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine is sourced from PubChem (CID 141357548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).