N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H20N4O3 — CID 110611023

IUPACN-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N4O3/c23-16-11-25-10-9-22(16)13-7-5-12(6-8-13)19-18(24)17-14-3-1-2-4-15(14)20-21-17/h5-8H,1-4,9-11H2,(H,19,24)(H,20,21)
InChIKeyWALHAXVJOSTLDQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.90
Rot. Bonds3

About N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110611023) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110611023
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N4O3/c23-16-11-25-10-9-22(16)13-7-5-12(6-8-13)19-18(24)17-14-3-1-2-4-15(14)20-21-17/h5-8H,1-4,9-11H2,(H,19,24)(H,20,21)
InChIKeyWALHAXVJOSTLDQ-UHFFFAOYSA-N
XLogP1.90
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110613748
N-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 90935150
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110628950
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110426145
5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide
CID 90728857
5-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 110665423

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110611023) is N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2=O)cc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WALHAXVJOSTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16-11-25-10-9-22(16)13-7-5-12(6-8-13)19-18(24)17-14-3-1-2-4-15(14)20-21-17/h5-8H,1-4,9-11H2,(H,19,24)(H,20,21).
What are the key properties of N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110611023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).