ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C25H32FN5O3 — CID 142511623

IUPACethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCC.O=C(Nc1ccc(N2CCOCC2)cc1N1CCC(F)CC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H26FN5O3.C2H6/c24-17-5-7-29(8-6-17)20-13-18(28-9-11-31-12-10-28)1-2-19(20)27-23(30)22-4-3-21(32-22)16-14-25-26-15-16;1-2/h1-4,13-15,17H,5-12H2,(H,25,26)(H,27,30);1-2H3
InChIKeyZBXHGDKWQRRYQN-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.72
Rot. Bonds5

About ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 142511623) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID142511623
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Nameethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCC.O=C(Nc1ccc(N2CCOCC2)cc1N1CCC(F)CC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H26FN5O3.C2H6/c24-17-5-7-29(8-6-17)20-13-18(28-9-11-31-12-10-28)1-2-19(20)27-23(30)22-4-3-21(32-22)16-14-25-26-15-16;1-2/h1-4,13-15,17H,5-12H2,(H,25,26)(H,27,30);1-2H3
InChIKeyZBXHGDKWQRRYQN-UHFFFAOYSA-N
XLogP4.72
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137371002
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370804
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 126511290
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370580
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 159960805
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 142511623) is ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CC.O=C(Nc1ccc(N2CCOCC2)cc1N1CCC(F)CC1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is ZBXHGDKWQRRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3.C2H6/c24-17-5-7-29(8-6-17)20-13-18(28-9-11-31-12-10-28)1-2-19(20)27-23(30)22-4-3-21(32-22)16-14-25-26-15-16;1-2/h1-4,13-15,17H,5-12H2,(H,25,26)(H,27,30);1-2H3.
What are the key properties of ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 142511623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).