2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine

C25H30N6O2 — CID 141203760

IUPAC2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C2(C3CCO3)NC(Cc3ccco3)=C(CCc3ccn[nH]3)N2N2CCCC2)nc1
InChIInChI=1S/C25H30N6O2/c1-2-12-26-23(7-1)25(24-11-17-33-24)28-21(18-20-6-5-16-32-20)22(9-8-19-10-13-27-29-19)31(25)30-14-3-4-15-30/h1-2,5-7,10,12-13,16,24,28H,3-4,8-9,11,14-15,17-18H2,(H,27,29)
InChIKeyLTJJOIBGULPHJO-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.34
Rot. Bonds8

About 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine

2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine (PubChem CID 141203760) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine
PubChem CID141203760
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine
SMILESc1ccc(C2(C3CCO3)NC(Cc3ccco3)=C(CCc3ccn[nH]3)N2N2CCCC2)nc1
InChIInChI=1S/C25H30N6O2/c1-2-12-26-23(7-1)25(24-11-17-33-24)28-21(18-20-6-5-16-32-20)22(9-8-19-10-13-27-29-19)31(25)30-14-3-4-15-30/h1-2,5-7,10,12-13,16,24,28H,3-4,8-9,11,14-15,17-18H2,(H,27,29)
InChIKeyLTJJOIBGULPHJO-UHFFFAOYSA-N
XLogP3.34
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine with MolForge

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Related Compounds

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyridine
CID 129396637
4-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 126803316
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 50977464
1-(furan-2-yl)-4-(oxan-2-yl)-2-(oxolan-2-yl)-3-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)imidazole
CID 141056958
1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine
CID 19627663
N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
CID 19627672
1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627676
1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46985726
2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46988579
1-methyl-2-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 56719313
5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 70710129
1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol
CID 74230113

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine (CID 141203760) is 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine is c1ccc(C2(C3CCO3)NC(Cc3ccco3)=C(CCc3ccn[nH]3)N2N2CCCC2)nc1.
What is the InChIKey of 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine?
The InChIKey is LTJJOIBGULPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-2-12-26-23(7-1)25(24-11-17-33-24)28-21(18-20-6-5-16-32-20)22(9-8-19-10-13-27-29-19)31(25)30-14-3-4-15-30/h1-2,5-7,10,12-13,16,24,28H,3-4,8-9,11,14-15,17-18H2,(H,27,29).
What are the key properties of 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine?
2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine has a molecular weight of 446.56 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-ylmethyl)-2-(oxetan-2-yl)-4-[2-(1H-pyrazol-5-yl)ethyl]-3-pyrrolidin-1-yl-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 141203760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).