6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O3 — CID 30003571

IUPAC6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C24H25N5O3/c1-15-13-17(29-10-8-28(3)9-11-29)6-7-19(15)25-23(30)18-14-20(21-5-4-12-31-21)26-24-22(18)16(2)27-32-24/h4-7,12-14H,8-11H2,1-3H3,(H,25,30)
InChIKeyKXNASLVLEXYFBZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.10
Rot. Bonds4

About 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30003571) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30003571
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C24H25N5O3/c1-15-13-17(29-10-8-28(3)9-11-29)6-7-19(15)25-23(30)18-14-20(21-5-4-12-31-21)26-24-22(18)16(2)27-32-24/h4-7,12-14H,8-11H2,1-3H3,(H,25,30)
InChIKeyKXNASLVLEXYFBZ-UHFFFAOYSA-N
XLogP4.10
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134612
6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18281449
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134614
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39052209
6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31008041
6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55533054
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
6-(furan-2-yl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30187132
N-(5-acetamido-2-methoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492785
N-(2,3-dihydro-1-benzofuran-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38588937

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 30003571) is 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KXNASLVLEXYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-13-17(29-10-8-28(3)9-11-29)6-7-19(15)25-23(30)18-14-20(21-5-4-12-31-21)26-24-22(18)16(2)27-32-24/h4-7,12-14H,8-11H2,1-3H3,(H,25,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30003571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).