5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide

C29H34ClFN6O4 — CID 171560679

IUPAC5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide
SMILESCC1CNCCC1(F)c1cc(Cl)c[nH]c1=O.O=C(Cc1nc(N2CCCC2)c2oc3ccccc3c2n1)NCCO
InChIInChI=1S/C18H20N4O3.C11H14ClFN2O/c23-10-7-19-15(24)11-14-20-16-12-5-1-2-6-13(12)25-17(16)18(21-14)22-8-3-4-9-22;1-7-5-14-3-2-11(7,13)9-4-8(12)6-15-10(9)16/h1-2,5-6,23H,3-4,7-11H2,(H,19,24);4,6-7,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyWAPYVIVEXBTSMU-UHFFFAOYSA-N
MW585.08 g/mol
LogP3.45
Rot. Bonds6

About 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide

5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide (PubChem CID 171560679) has the molecular formula C29H34ClFN6O4 and a molecular weight of 585.08 g/mol. Its IUPAC name is 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide
PubChem CID171560679
Molecular FormulaC29H34ClFN6O4
Molecular Weight585.08 g/mol
Exact Mass584.23
IUPAC Name5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide
SMILESCC1CNCCC1(F)c1cc(Cl)c[nH]c1=O.O=C(Cc1nc(N2CCCC2)c2oc3ccccc3c2n1)NCCO
InChIInChI=1S/C18H20N4O3.C11H14ClFN2O/c23-10-7-19-15(24)11-14-20-16-12-5-1-2-6-13(12)25-17(16)18(21-14)22-8-3-4-9-22;1-7-5-14-3-2-11(7,13)9-4-8(12)6-15-10(9)16/h1-2,5-6,23H,3-4,7-11H2,(H,19,24);4,6-7,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyWAPYVIVEXBTSMU-UHFFFAOYSA-N
XLogP3.45
TPSA136.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.08
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(5-chloro-2-oxo-1H-pyridin-3-yl)-4-fluoro-3-methylpiperidine-1-carboxamide;2-(difluoromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;ethynol
CID 166125060
5-chloro-3-[3,4-dimethyl-1-[5-[(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)methoxy]pentanoyl]piperidin-4-yl]-1H-pyridin-2-one;formic acid
CID 171560464
tert-butyl (2S,4S)-4-[[5-chloro-3-[(3S,4R)-4-fluoro-3-methylpiperidin-4-yl]-2-pyridinyl]oxy]-1-[2-(prop-2-enoxymethyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 171560686
5-chloro-3-[(5R)-2,2,5-trimethylthian-4-yl]-1H-pyridin-2-one;ethane;ethynol;4-pyrrolidin-1-yl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 166124914
acetic acid;5-bromo-3-[3,4-dimethyl-1-[3-[3-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)propoxy]propanoyl]piperidin-4-yl]-1H-pyridin-2-one
CID 171560749
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
N-[3-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dimethyl-5-[3-[(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)methoxy]propoxy]pentyl]formamide;methoxymethane
CID 171560500
5-chloro-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one;2-(difluoromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;formic acid
CID 166124692
N-[3-(5-chloro-2-oxo-1H-pyridin-3-yl)butyl]-N-(2-methylpropyl)-2-[3-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)propoxy]acetamide;formic acid
CID 171560560
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
tert-butyl (3S,4R)-4-[5-chloro-2-[(3S,5S)-1-[2-(hydroxymethyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-3-pyridinyl]-4-fluoro-3-methylpiperidine-1-carboxylate
CID 171724347
1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 52994844

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide?
The IUPAC name of 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide (CID 171560679) is 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide is CC1CNCCC1(F)c1cc(Cl)c[nH]c1=O.O=C(Cc1nc(N2CCCC2)c2oc3ccccc3c2n1)NCCO.
What is the InChIKey of 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide?
The InChIKey is WAPYVIVEXBTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.C11H14ClFN2O/c23-10-7-19-15(24)11-14-20-16-12-5-1-2-6-13(12)25-17(16)18(21-14)22-8-3-4-9-22;1-7-5-14-3-2-11(7,13)9-4-8(12)6-15-10(9)16/h1-2,5-6,23H,3-4,7-11H2,(H,19,24);4,6-7,14H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide?
5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide has a molecular weight of 585.08 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 171560679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).