ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane

C26H33N3O2 — CID 143422123

IUPACethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
SMILESCC.CCC.CCC(C)C(=O)c1oc2cnccc2c1Nc1ccc2cnccc2c1
InChIInChI=1S/C21H19N3O2.C3H8.C2H6/c1-3-13(2)20(25)21-19(17-7-9-23-12-18(17)26-21)24-16-5-4-15-11-22-8-6-14(15)10-16;1-3-2;1-2/h4-13,24H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRLLXREBXERLFAW-UHFFFAOYSA-N
MW419.57 g/mol
LogP7.79
Rot. Bonds5

About ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane

ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane (PubChem CID 143422123) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane.

Molecular Properties

Compound Nameethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
PubChem CID143422123
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Nameethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
SMILESCC.CCC.CCC(C)C(=O)c1oc2cnccc2c1Nc1ccc2cnccc2c1
InChIInChI=1S/C21H19N3O2.C3H8.C2H6/c1-3-13(2)20(25)21-19(17-7-9-23-12-18(17)26-21)24-16-5-4-15-11-22-8-6-14(15)10-16;1-3-2;1-2/h4-13,24H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRLLXREBXERLFAW-UHFFFAOYSA-N
XLogP7.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane with MolForge

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Related Compounds

3-(4-chloroanilino)-N-(2-hydroxypropyl)furo[2,3-c]pyridine-2-carboxamide
CID 58826867
ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 69191709
3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid
CID 141171288
N-isoquinolin-6-ylbutanamide
CID 118007953
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide
CID 53320630
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
CID 73226069
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane?
The IUPAC name of ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane (CID 143422123) is ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane.
What is the SMILES notation for ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane?
The canonical SMILES for ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane is CC.CCC.CCC(C)C(=O)c1oc2cnccc2c1Nc1ccc2cnccc2c1.
What is the InChIKey of ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane?
The InChIKey is RLLXREBXERLFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.C3H8.C2H6/c1-3-13(2)20(25)21-19(17-7-9-23-12-18(17)26-21)24-16-5-4-15-11-22-8-6-14(15)10-16;1-3-2;1-2/h4-13,24H,3H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane?
ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane has a molecular weight of 419.57 g/mol, XLogP of 7.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane is sourced from PubChem (CID 143422123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).