[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol

C20H21N3O2 — CID 50963081

IUPAC[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC(c3ccnc(-c4cccnc4)c3)C2)o1
InChIInChI=1S/C20H21N3O2/c24-14-19-4-3-18(25-19)13-23-9-6-17(12-23)15-5-8-22-20(10-15)16-2-1-7-21-11-16/h1-5,7-8,10-11,17,24H,6,9,12-14H2
InChIKeyBVGINXMKLLVAFX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds5

About [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol

[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 50963081) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID50963081
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC(c3ccnc(-c4cccnc4)c3)C2)o1
InChIInChI=1S/C20H21N3O2/c24-14-19-4-3-18(25-19)13-23-9-6-17(12-23)15-5-8-22-20(10-15)16-2-1-7-21-11-16/h1-5,7-8,10-11,17,24H,6,9,12-14H2
InChIKeyBVGINXMKLLVAFX-UHFFFAOYSA-N
XLogP3.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95147375
2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
CID 95129452
2-[(3S)-3-[2-(3-acetylphenyl)-4-pyridinyl]pyrrolidin-1-yl]acetic acid
CID 95135293
2-[[(3S)-3-[2-(3-methoxyphenyl)-4-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 95125885
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
CID 95131742
3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
CID 50948130
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95127637
5-[[(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95132668
4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
CID 95127720
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 135089018

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol (CID 50963081) is [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCC(c3ccnc(-c4cccnc4)c3)C2)o1.
What is the InChIKey of [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is BVGINXMKLLVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-14-19-4-3-18(25-19)13-23-9-6-17(12-23)15-5-8-22-20(10-15)16-2-1-7-21-11-16/h1-5,7-8,10-11,17,24H,6,9,12-14H2.
What are the key properties of [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 335.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 50963081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).