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

C23H24N6O3 — CID 31008041

IUPAC6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c12
InChIInChI=1S/C23H24N6O3/c1-15-21-17(12-18(19-4-3-11-31-19)26-23(21)32-27-15)22(30)25-14-16-5-6-20(24-13-16)29-9-7-28(2)8-10-29/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,30)
InChIKeyDUPVWCAZGJGSSP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.87
Rot. Bonds5

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

6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 31008041) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID31008041
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c12
InChIInChI=1S/C23H24N6O3/c1-15-21-17(12-18(19-4-3-11-31-19)26-23(21)32-27-15)22(30)25-14-16-5-6-20(24-13-16)29-9-7-28(2)8-10-29/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,30)
InChIKeyDUPVWCAZGJGSSP-UHFFFAOYSA-N
XLogP2.87
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
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
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
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)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17425774
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55819078
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55782068
6-(furan-2-yl)-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46632647
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DUPVWCAZGJGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15-21-17(12-18(19-4-3-11-31-19)26-23(21)32-27-15)22(30)25-14-16-5-6-20(24-13-16)29-9-7-28(2)8-10-29/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31008041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).