4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one

C29H30N2O3 — CID 158362528

IUPAC4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one
SMILESCc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc4c(c3)C=CC4)cc3c2OCC3(C)N)cc1
InChIInChI=1S/C29H30N2O3/c1-18-7-9-20(10-8-18)26-27-23(28(2,30)17-34-27)16-25(31-26)29(3,33)14-13-24(32)22-12-11-19-5-4-6-21(19)15-22/h4,6-12,15-16,33H,5,13-14,17,30H2,1-3H3
InChIKeySPUUMIOBPVFVBC-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.06
Rot. Bonds6

About 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one

4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one (PubChem CID 158362528) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one
PubChem CID158362528
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one
SMILESCc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc4c(c3)C=CC4)cc3c2OCC3(C)N)cc1
InChIInChI=1S/C29H30N2O3/c1-18-7-9-20(10-8-18)26-27-23(28(2,30)17-34-27)16-25(31-26)29(3,33)14-13-24(32)22-12-11-19-5-4-6-21(19)15-22/h4,6-12,15-16,33H,5,13-14,17,30H2,1-3H3
InChIKeySPUUMIOBPVFVBC-UHFFFAOYSA-N
XLogP5.06
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one
CID 157444092
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 157438514
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
CID 158034139
6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 162049436
3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one
CID 158860415
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167588532
(3R)-5-[(2S)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167580289
4-[3-amino-3-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 159702694
(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167653808
(3R)-5-[(2S)-5-(2-ethylindazol-5-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167637042
(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(2-methylpyrimidin-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167673726
(3R)-5-[(2S)-5-(4-carbamoyl-2-pyridinyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167603683

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one?
The IUPAC name of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one (CID 158362528) is 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one.
What is the SMILES notation for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one?
The canonical SMILES for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one is Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc4c(c3)C=CC4)cc3c2OCC3(C)N)cc1.
What is the InChIKey of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one?
The InChIKey is SPUUMIOBPVFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-18-7-9-20(10-8-18)26-27-23(28(2,30)17-34-27)16-25(31-26)29(3,33)14-13-24(32)22-12-11-19-5-4-6-21(19)15-22/h4,6-12,15-16,33H,5,13-14,17,30H2,1-3H3.
What are the key properties of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one?
4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one has a molecular weight of 454.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(1H-inden-5-yl)pentan-1-one is sourced from PubChem (CID 158362528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).