ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone

C22H26FN3O3 — CID 143636055

IUPACethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCC.Cc1ccc(Nc2c(C(=O)N3CCCC(O)C3)oc3ccncc23)c(F)c1
InChIInChI=1S/C20H20FN3O3.C2H6/c1-12-4-5-16(15(21)9-12)23-18-14-10-22-7-6-17(14)27-19(18)20(26)24-8-2-3-13(25)11-24;1-2/h4-7,9-10,13,23,25H,2-3,8,11H2,1H3;1-2H3
InChIKeyYUHOTHRZJLVDGQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.64
Rot. Bonds3

About ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone

ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 143636055) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Nameethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID143636055
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Nameethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCC.Cc1ccc(Nc2c(C(=O)N3CCCC(O)C3)oc3ccncc23)c(F)c1
InChIInChI=1S/C20H20FN3O3.C2H6/c1-12-4-5-16(15(21)9-12)23-18-14-10-22-7-6-17(14)27-19(18)20(26)24-8-2-3-13(25)11-24;1-2/h4-7,9-10,13,23,25H,2-3,8,11H2,1H3;1-2H3
InChIKeyYUHOTHRZJLVDGQ-UHFFFAOYSA-N
XLogP4.64
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 143636066
CID 88886020
CID 88886020
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
1-[5-(2-fluoro-4-methylanilino)-4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-methylthiophen-2-yl]ethanone
CID 167133041
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
(5-chloro-3-methyl-1-benzofuran-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029859

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 143636055) is ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone is CC.Cc1ccc(Nc2c(C(=O)N3CCCC(O)C3)oc3ccncc23)c(F)c1.
What is the InChIKey of ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YUHOTHRZJLVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3.C2H6/c1-12-4-5-16(15(21)9-12)23-18-14-10-22-7-6-17(14)27-19(18)20(26)24-8-2-3-13(25)11-24;1-2/h4-7,9-10,13,23,25H,2-3,8,11H2,1H3;1-2H3.
What are the key properties of ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone?
ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 399.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 143636055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).