3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane

C20H26N6O — CID 172873867

IUPAC3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1[nH]cnc1CN1CC2CCC(C1)N(Cc1ccc(-c3ccn[nH]3)o1)C2
InChIInChI=1S/C20H26N6O/c1-14-19(22-13-21-14)12-25-8-15-2-3-16(10-25)26(9-15)11-17-4-5-20(27-17)18-6-7-23-24-18/h4-7,13,15-16H,2-3,8-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPJYHAZFCIWUKAT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.80
Rot. Bonds5

About 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane

3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 172873867) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID172873867
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1[nH]cnc1CN1CC2CCC(C1)N(Cc1ccc(-c3ccn[nH]3)o1)C2
InChIInChI=1S/C20H26N6O/c1-14-19(22-13-21-14)12-25-8-15-2-3-16(10-25)26(9-15)11-17-4-5-20(27-17)18-6-7-23-24-18/h4-7,13,15-16H,2-3,8-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPJYHAZFCIWUKAT-UHFFFAOYSA-N
XLogP2.80
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane (CID 172873867) is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane is Cc1[nH]cnc1CN1CC2CCC(C1)N(Cc1ccc(-c3ccn[nH]3)o1)C2.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is PJYHAZFCIWUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-19(22-13-21-14)12-25-8-15-2-3-16(10-25)26(9-15)11-17-4-5-20(27-17)18-6-7-23-24-18/h4-7,13,15-16H,2-3,8-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane?
3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 366.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 172873867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).