6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine

C24H26N4O — CID 146419597

IUPAC6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine
SMILESCc1cc(-c2ccc(CN3CCCC3c3cnc4c(c3)OCC4)cc2)nc(C)n1
InChIInChI=1S/C24H26N4O/c1-16-12-22(27-17(2)26-16)19-7-5-18(6-8-19)15-28-10-3-4-23(28)20-13-24-21(25-14-20)9-11-29-24/h5-8,12-14,23H,3-4,9-11,15H2,1-2H3
InChIKeyLINGHNHHCBHMCR-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.43
Rot. Bonds4

About 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine

6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine (PubChem CID 146419597) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine
PubChem CID146419597
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine
SMILESCc1cc(-c2ccc(CN3CCCC3c3cnc4c(c3)OCC4)cc2)nc(C)n1
InChIInChI=1S/C24H26N4O/c1-16-12-22(27-17(2)26-16)19-7-5-18(6-8-19)15-28-10-3-4-23(28)20-13-24-21(25-14-20)9-11-29-24/h5-8,12-14,23H,3-4,9-11,15H2,1-2H3
InChIKeyLINGHNHHCBHMCR-UHFFFAOYSA-N
XLogP4.43
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
CID 146419840
N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146419492
(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine
CID 146419466
5-[4-[[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
CID 146419835
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
5-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrimidine
CID 146419445
5-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine
CID 146419494
3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine
CID 146419697
3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-methylsulfonylpyridine
CID 146419555
1-[2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrimidin-5-yl]propan-1-one
CID 160697359
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 146419289
N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158552703

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine?
The IUPAC name of 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine (CID 146419597) is 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine?
The canonical SMILES for 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine is Cc1cc(-c2ccc(CN3CCCC3c3cnc4c(c3)OCC4)cc2)nc(C)n1.
What is the InChIKey of 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine?
The InChIKey is LINGHNHHCBHMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-12-22(27-17(2)26-16)19-7-5-18(6-8-19)15-28-10-3-4-23(28)20-13-24-21(25-14-20)9-11-29-24/h5-8,12-14,23H,3-4,9-11,15H2,1-2H3.
What are the key properties of 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine?
6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine has a molecular weight of 386.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(2,6-dimethylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine is sourced from PubChem (CID 146419597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).