phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride

C26H27ClN2O3 — CID 19599932

IUPACphenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccc(C(=O)N2CCc3cc(CN4CCCC4)oc3C2)cc1
InChIInChI=1S/C26H26N2O3.ClH/c29-25(19-6-2-1-3-7-19)20-8-10-21(11-9-20)26(30)28-15-12-22-16-23(31-24(22)18-28)17-27-13-4-5-14-27;/h1-3,6-11,16H,4-5,12-15,17-18H2;1H
InChIKeyOGDOBEPQHOXMSZ-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.73
Rot. Bonds5

About phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride

phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride (PubChem CID 19599932) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride
PubChem CID19599932
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC Namephenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccc(C(=O)N2CCc3cc(CN4CCCC4)oc3C2)cc1
InChIInChI=1S/C26H26N2O3.ClH/c29-25(19-6-2-1-3-7-19)20-8-10-21(11-9-20)26(30)28-15-12-22-16-23(31-24(22)18-28)17-27-13-4-5-14-27;/h1-3,6-11,16H,4-5,12-15,17-18H2;1H
InChIKeyOGDOBEPQHOXMSZ-UHFFFAOYSA-N
XLogP4.73
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride with MolForge

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Related Compounds

[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone
CID 19599902
6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde
CID 19599916
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
CID 19600027
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride
CID 19600165
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 19599886
[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 19599989
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-(9H-fluoren-2-yl)methanone
CID 19600025
[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone
CID 19600131
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone
CID 19600124
5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl-(4-phenylphenyl)methanone
CID 19600091
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone
CID 19600077
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24550579

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride?
The IUPAC name of phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride (CID 19599932) is phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride?
The canonical SMILES for phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride is Cl.O=C(c1ccccc1)c1ccc(C(=O)N2CCc3cc(CN4CCCC4)oc3C2)cc1.
What is the InChIKey of phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride?
The InChIKey is OGDOBEPQHOXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3.ClH/c29-25(19-6-2-1-3-7-19)20-8-10-21(11-9-20)26(30)28-15-12-22-16-23(31-24(22)18-28)17-27-13-4-5-14-27;/h1-3,6-11,16H,4-5,12-15,17-18H2;1H.
What are the key properties of phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride?
phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride has a molecular weight of 450.97 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 19599932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).